N-(4-methoxyphenyl)-6-[(5-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

C20H22N4OS — CID 20960363

IUPACN-(4-methoxyphenyl)-6-[(5-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCOc1ccc(Nc2ncc3c(n2)CCN(Cc2ccc(C)s2)C3)cc1
InChIInChI=1S/C20H22N4OS/c1-14-3-8-18(26-14)13-24-10-9-19-15(12-24)11-21-20(23-19)22-16-4-6-17(25-2)7-5-16/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,22,23)
InChIKeyCNFUKWXVUYZQDH-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.16
Rot. Bonds5

About N-(4-methoxyphenyl)-6-[(5-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

N-(4-methoxyphenyl)-6-[(5-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 20960363) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-[(5-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-[(5-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID20960363
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-(4-methoxyphenyl)-6-[(5-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCOc1ccc(Nc2ncc3c(n2)CCN(Cc2ccc(C)s2)C3)cc1
InChIInChI=1S/C20H22N4OS/c1-14-3-8-18(26-14)13-24-10-9-19-15(12-24)11-21-20(23-19)22-16-4-6-17(25-2)7-5-16/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,22,23)
InChIKeyCNFUKWXVUYZQDH-UHFFFAOYSA-N
XLogP4.16
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methoxyphenyl)-6-[(5-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[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

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-[(5-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-6-[(5-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 20960363) is N-(4-methoxyphenyl)-6-[(5-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-6-[(5-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-6-[(5-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is COc1ccc(Nc2ncc3c(n2)CCN(Cc2ccc(C)s2)C3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-[(5-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is CNFUKWXVUYZQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-14-3-8-18(26-14)13-24-10-9-19-15(12-24)11-21-20(23-19)22-16-4-6-17(25-2)7-5-16/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,22,23).
What are the key properties of N-(4-methoxyphenyl)-6-[(5-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
N-(4-methoxyphenyl)-6-[(5-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 366.49 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-[(5-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 20960363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).