4-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-amine;4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine;4-methyl-5,6,7,9-tetrahydrooxepino[3,4-d]pyrimidin-2-amine;4-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-amine;4-methyl-5,7,8,9-tetrahydrooxepino[4,3-d]pyrimidin-2-amine

C50H70N18O6 — CID 158999257

IUPAC4-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-amine;4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine;4-methyl-5,6,7,9-tetrahydrooxepino[3,4-d]pyrimidin-2-amine;4-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-amine;4-methyl-5,7,8,9-tetrahydrooxepino[4,3-d]pyrimidin-2-amine
SMILESCc1nc(N)nc2c1CCCOC2.Cc1nc(N)nc2c1CCOC2.Cc1nc(N)nc2c1CCOCC2.Cc1nc(N)nc2c1COC2.Cc1nc(N)nc2c1COCC2.Cc1nc(N)nc2c1COCCC2
InChIInChI=1S/3C9H13N3O.2C8H11N3O.C7H9N3O/c1-6-7-2-4-13-5-3-8(7)12-9(10)11-6;1-6-7-5-13-4-2-3-8(7)12-9(10)11-6;1-6-7-3-2-4-13-5-8(7)12-9(10)11-6;1-5-6-4-12-3-2-7(6)11-8(9)10-5;1-5-6-2-3-12-4-7(6)11-8(9)10-5;1-4-5-2-11-3-6(5)10-7(8)9-4/h3*2-5H2,1H3,(H2,10,11,12);2*2-4H2,1H3,(H2,9,10,11);2-3H2,1H3,(H2,8,9,10)
InChIKeyJRDGZPUZLPZOEU-UHFFFAOYSA-N
MW1019.23 g/mol
LogP3.42
Rot. Bonds

About 4-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-amine;4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine;4-methyl-5,6,7,9-tetrahydrooxepino[3,4-d]pyrimidin-2-amine;4-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-amine;4-methyl-5,7,8,9-tetrahydrooxepino[4,3-d]pyrimidin-2-amine

4-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-amine;4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine;4-methyl-5,6,7,9-tetrahydrooxepino[3,4-d]pyrimidin-2-amine;4-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-amine;4-methyl-5,7,8,9-tetrahydrooxepino[4,3-d]pyrimidin-2-amine (PubChem CID 158999257) has the molecular formula C50H70N18O6 and a molecular weight of 1019.23 g/mol. Its IUPAC name is 4-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-amine;4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine;4-methyl-5,6,7,9-tetrahydrooxepino[3,4-d]pyrimidin-2-amine;4-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-amine;4-methyl-5,7,8,9-tetrahydrooxepino[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-amine;4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine;4-methyl-5,6,7,9-tetrahydrooxepino[3,4-d]pyrimidin-2-amine;4-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-amine;4-methyl-5,7,8,9-tetrahydrooxepino[4,3-d]pyrimidin-2-amine
PubChem CID158999257
Molecular FormulaC50H70N18O6
Molecular Weight1019.23 g/mol
Exact Mass1018.57
IUPAC Name4-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-amine;4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine;4-methyl-5,6,7,9-tetrahydrooxepino[3,4-d]pyrimidin-2-amine;4-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-amine;4-methyl-5,7,8,9-tetrahydrooxepino[4,3-d]pyrimidin-2-amine
SMILESCc1nc(N)nc2c1CCCOC2.Cc1nc(N)nc2c1CCOC2.Cc1nc(N)nc2c1CCOCC2.Cc1nc(N)nc2c1COC2.Cc1nc(N)nc2c1COCC2.Cc1nc(N)nc2c1COCCC2
InChIInChI=1S/3C9H13N3O.2C8H11N3O.C7H9N3O/c1-6-7-2-4-13-5-3-8(7)12-9(10)11-6;1-6-7-5-13-4-2-3-8(7)12-9(10)11-6;1-6-7-3-2-4-13-5-8(7)12-9(10)11-6;1-5-6-4-12-3-2-7(6)11-8(9)10-5;1-5-6-2-3-12-4-7(6)11-8(9)10-5;1-4-5-2-11-3-6(5)10-7(8)9-4/h3*2-5H2,1H3,(H2,10,11,12);2*2-4H2,1H3,(H2,9,10,11);2-3H2,1H3,(H2,8,9,10)
InChIKeyJRDGZPUZLPZOEU-UHFFFAOYSA-N
XLogP3.42
TPSA366.18 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001019.23
LogP ≤ 53.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze 4-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-amine;4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine;4-methyl-5,6,7,9-tetrahydrooxepino[3,4-d]pyrimidin-2-amine;4-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-amine;4-methyl-5,7,8,9-tetrahydrooxepino[4,3-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-amine
CID 105448888
4-chloro-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine
CID 83668205
2-amino-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-4-carbaldehyde
CID 83862973
4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-2-carbaldehyde
CID 105437409
3-(4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl)propan-1-amine
CID 105460666
2-amino-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine-4-carbaldehyde
CID 83862998
3-[(4-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)amino]propanoic acid
CID 83839024
4-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126452686
4-[(4-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)amino]butanoic acid
CID 83842467
N-methyl-3-(4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propan-1-amine
CID 105477904
4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 112703747
N-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)methanesulfonamide
CID 25039003

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-amine;4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine;4-methyl-5,6,7,9-tetrahydrooxepino[3,4-d]pyrimidin-2-amine;4-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-amine;4-methyl-5,7,8,9-tetrahydrooxepino[4,3-d]pyrimidin-2-amine?
The IUPAC name of 4-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-amine;4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine;4-methyl-5,6,7,9-tetrahydrooxepino[3,4-d]pyrimidin-2-amine;4-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-amine;4-methyl-5,7,8,9-tetrahydrooxepino[4,3-d]pyrimidin-2-amine (CID 158999257) is 4-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-amine;4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine;4-methyl-5,6,7,9-tetrahydrooxepino[3,4-d]pyrimidin-2-amine;4-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-amine;4-methyl-5,7,8,9-tetrahydrooxepino[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-amine;4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine;4-methyl-5,6,7,9-tetrahydrooxepino[3,4-d]pyrimidin-2-amine;4-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-amine;4-methyl-5,7,8,9-tetrahydrooxepino[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-amine;4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine;4-methyl-5,6,7,9-tetrahydrooxepino[3,4-d]pyrimidin-2-amine;4-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-amine;4-methyl-5,7,8,9-tetrahydrooxepino[4,3-d]pyrimidin-2-amine is Cc1nc(N)nc2c1CCCOC2.Cc1nc(N)nc2c1CCOC2.Cc1nc(N)nc2c1CCOCC2.Cc1nc(N)nc2c1COC2.Cc1nc(N)nc2c1COCC2.Cc1nc(N)nc2c1COCCC2.
What is the InChIKey of 4-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-amine;4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine;4-methyl-5,6,7,9-tetrahydrooxepino[3,4-d]pyrimidin-2-amine;4-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-amine;4-methyl-5,7,8,9-tetrahydrooxepino[4,3-d]pyrimidin-2-amine?
The InChIKey is JRDGZPUZLPZOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H13N3O.2C8H11N3O.C7H9N3O/c1-6-7-2-4-13-5-3-8(7)12-9(10)11-6;1-6-7-5-13-4-2-3-8(7)12-9(10)11-6;1-6-7-3-2-4-13-5-8(7)12-9(10)11-6;1-5-6-4-12-3-2-7(6)11-8(9)10-5;1-5-6-2-3-12-4-7(6)11-8(9)10-5;1-4-5-2-11-3-6(5)10-7(8)9-4/h3*2-5H2,1H3,(H2,10,11,12);2*2-4H2,1H3,(H2,9,10,11);2-3H2,1H3,(H2,8,9,10).
What are the key properties of 4-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-amine;4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine;4-methyl-5,6,7,9-tetrahydrooxepino[3,4-d]pyrimidin-2-amine;4-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-amine;4-methyl-5,7,8,9-tetrahydrooxepino[4,3-d]pyrimidin-2-amine?
4-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-amine;4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine;4-methyl-5,6,7,9-tetrahydrooxepino[3,4-d]pyrimidin-2-amine;4-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-amine;4-methyl-5,7,8,9-tetrahydrooxepino[4,3-d]pyrimidin-2-amine has a molecular weight of 1019.23 g/mol, XLogP of 3.42, 0 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-2-amine;4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-amine;4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine;4-methyl-5,6,7,9-tetrahydrooxepino[3,4-d]pyrimidin-2-amine;4-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-amine;4-methyl-5,7,8,9-tetrahydrooxepino[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 158999257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).