N-methyl-2-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C16H19N3O — CID 106472106

IUPACN-methyl-2-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCNc1nc(Cc2cccc(C)c2)nc2c1COCC2
InChIInChI=1S/C16H19N3O/c1-11-4-3-5-12(8-11)9-15-18-14-6-7-20-10-13(14)16(17-2)19-15/h3-5,8H,6-7,9-10H2,1-2H3,(H,17,18,19)
InChIKeyBSCNUNDONQYGRW-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.49
Rot. Bonds3

About N-methyl-2-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

N-methyl-2-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472106) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-methyl-2-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472106
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-methyl-2-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCNc1nc(Cc2cccc(C)c2)nc2c1COCC2
InChIInChI=1S/C16H19N3O/c1-11-4-3-5-12(8-11)9-15-18-14-6-7-20-10-13(14)16(17-2)19-15/h3-5,8H,6-7,9-10H2,1-2H3,(H,17,18,19)
InChIKeyBSCNUNDONQYGRW-UHFFFAOYSA-N
XLogP2.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-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-[(3-bromophenyl)methyl]-4-chloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470645
N-methyl-2-[(2-methylphenyl)sulfanylmethyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472306
2-[(3-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190601
[2-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473449
N-ethyl-2-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472394
2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472183
2-(2,6-dichlorophenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472809
N-ethyl-2-[(3-methylphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191304
1-[2-[(3-methylphenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 7338939
4-chloro-2-[(3-methylphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidine
CID 83196977
[2-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473494
2-(3-ethoxyphenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472247

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472106) is N-methyl-2-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CNc1nc(Cc2cccc(C)c2)nc2c1COCC2.
What is the InChIKey of N-methyl-2-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is BSCNUNDONQYGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-4-3-5-12(8-11)9-15-18-14-6-7-20-10-13(14)16(17-2)19-15/h3-5,8H,6-7,9-10H2,1-2H3,(H,17,18,19).
What are the key properties of N-methyl-2-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
N-methyl-2-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).