2-(3-aminopropyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine

C11H18N4O — CID 105479388

IUPAC2-(3-aminopropyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine
SMILESNCCCc1nc(N)c2c(n1)CCOCC2
InChIInChI=1S/C11H18N4O/c12-5-1-2-10-14-9-4-7-16-6-3-8(9)11(13)15-10/h1-7,12H2,(H2,13,14,15)
InChIKeyGLAVMZLNCPMXAJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.07
Rot. Bonds3

About 2-(3-aminopropyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine

2-(3-aminopropyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine (PubChem CID 105479388) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(3-aminopropyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-aminopropyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine
PubChem CID105479388
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-(3-aminopropyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine
SMILESNCCCc1nc(N)c2c(n1)CCOCC2
InChIInChI=1S/C11H18N4O/c12-5-1-2-10-14-9-4-7-16-6-3-8(9)11(13)15-10/h1-7,12H2,(H2,13,14,15)
InChIKeyGLAVMZLNCPMXAJ-UHFFFAOYSA-N
XLogP0.07
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-aminopropyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-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

2-(2-aminoethyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine
CID 105461902
2-(3-aminopropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 105461903
3-(4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl)propan-1-amine
CID 105460666
2-(2-methoxyethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471922
2-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472008
2-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)acetic acid
CID 105462637
2-[(4-chlorophenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471831
2-(ethoxymethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472035
5-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)pentanoic acid
CID 134116459
2-(ethylsulfanylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471981
2-(4-methoxy-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl)ethanamine
CID 105462878
2-(2-aminoethyl)-5,6,8,9-tetrahydro-3H-oxepino[4,5-d]pyrimidin-4-one
CID 136866602

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine?
The IUPAC name of 2-(3-aminopropyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine (CID 105479388) is 2-(3-aminopropyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-aminopropyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-aminopropyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine is NCCCc1nc(N)c2c(n1)CCOCC2.
What is the InChIKey of 2-(3-aminopropyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine?
The InChIKey is GLAVMZLNCPMXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-5-1-2-10-14-9-4-7-16-6-3-8(9)11(13)15-10/h1-7,12H2,(H2,13,14,15).
What are the key properties of 2-(3-aminopropyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine?
2-(3-aminopropyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine has a molecular weight of 222.29 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine is sourced from PubChem (CID 105479388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).