4-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine

C14H16N4O — CID 117100703

IUPAC4-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
SMILESCOc1nc(Nc2cccc(C)c2)nc2c1CNC2
InChIInChI=1S/C14H16N4O/c1-9-4-3-5-10(6-9)16-14-17-12-8-15-7-11(12)13(18-14)19-2/h3-6,15H,7-8H2,1-2H3,(H,16,17,18)
InChIKeyUQAMZAPFVUFWFH-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.14
Rot. Bonds3

About 4-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine

4-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine (PubChem CID 117100703) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
PubChem CID117100703
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
SMILESCOc1nc(Nc2cccc(C)c2)nc2c1CNC2
InChIInChI=1S/C14H16N4O/c1-9-4-3-5-10(6-9)16-14-17-12-8-15-7-11(12)13(18-14)19-2/h3-6,15H,7-8H2,1-2H3,(H,16,17,18)
InChIKeyUQAMZAPFVUFWFH-UHFFFAOYSA-N
XLogP2.14
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 117101522
4-methoxy-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 117101052
6-methoxy-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80754961
N-(2-fluorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 117101099
N-(2-chlorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 117100915
4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 768151
4,6-difluoro-N-(3-methylphenyl)pyrimidin-2-amine
CID 613301
4-N-(3-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927268
4,6-bis[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 123556531
4-(3-methoxyanilino)-7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 43903150
N-(3-methylphenyl)-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 160594122
N-(3-bromophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
CID 117100690

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine (CID 117100703) is 4-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine is COc1nc(Nc2cccc(C)c2)nc2c1CNC2.
What is the InChIKey of 4-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine?
The InChIKey is UQAMZAPFVUFWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-4-3-5-10(6-9)16-14-17-12-8-15-7-11(12)13(18-14)19-2/h3-6,15H,7-8H2,1-2H3,(H,16,17,18).
What are the key properties of 4-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine?
4-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine has a molecular weight of 256.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 117100703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).