2-methoxy-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C15H18N4O — CID 117101810

IUPAC2-methoxy-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCOc1nc2c(c(Nc3ccc(C)cc3)n1)CCNC2
InChIInChI=1S/C15H18N4O/c1-10-3-5-11(6-4-10)17-14-12-7-8-16-9-13(12)18-15(19-14)20-2/h3-6,16H,7-9H2,1-2H3,(H,17,18,19)
InChIKeyDGGVCJBVERIEMJ-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.18
Rot. Bonds3

About 2-methoxy-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

2-methoxy-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 117101810) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-methoxy-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methoxy-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID117101810
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-methoxy-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCOc1nc2c(c(Nc3ccc(C)cc3)n1)CCNC2
InChIInChI=1S/C15H18N4O/c1-10-3-5-11(6-4-10)17-14-12-7-8-16-9-13(12)18-15(19-14)20-2/h3-6,16H,7-9H2,1-2H3,(H,17,18,19)
InChIKeyDGGVCJBVERIEMJ-UHFFFAOYSA-N
XLogP2.18
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 117102045
N-(3-chlorophenyl)-2-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101814
N-(4-chlorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 117101502
2-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 117101522
2-(4-methylanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136965770
4-N-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 117101960
4-methoxy-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 117101052
2-methoxy-N-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117102322
N-(4-chlorophenyl)-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101803
2-methoxy-N-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 117102067
2-[(2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)amino]phenol
CID 117101530
N-(3-methoxyphenyl)-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101821

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-methoxy-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 117101810) is 2-methoxy-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methoxy-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-methoxy-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is COc1nc2c(c(Nc3ccc(C)cc3)n1)CCNC2.
What is the InChIKey of 2-methoxy-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is DGGVCJBVERIEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-3-5-11(6-4-10)17-14-12-7-8-16-9-13(12)18-15(19-14)20-2/h3-6,16H,7-9H2,1-2H3,(H,17,18,19).
What are the key properties of 2-methoxy-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
2-methoxy-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 270.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 117101810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).