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

C21H24N4O2S — CID 20960519

IUPACN-(2,5-dimethoxyphenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCOc1ccc(OC)c(Nc2ncc3c(n2)CCN(Cc2sccc2C)C3)c1
InChIInChI=1S/C21H24N4O2S/c1-14-7-9-28-20(14)13-25-8-6-17-15(12-25)11-22-21(23-17)24-18-10-16(26-2)4-5-19(18)27-3/h4-5,7,9-11H,6,8,12-13H2,1-3H3,(H,22,23,24)
InChIKeyLMCHRTMJLKKIIM-UHFFFAOYSA-N
MW396.52 g/mol
LogP4.17
Rot. Bonds6

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

N-(2,5-dimethoxyphenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 20960519) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID20960519
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-(2,5-dimethoxyphenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCOc1ccc(OC)c(Nc2ncc3c(n2)CCN(Cc2sccc2C)C3)c1
InChIInChI=1S/C21H24N4O2S/c1-14-7-9-28-20(14)13-25-8-6-17-15(12-25)11-22-21(23-17)24-18-10-16(26-2)4-5-19(18)27-3/h4-5,7,9-11H,6,8,12-13H2,1-3H3,(H,22,23,24)
InChIKeyLMCHRTMJLKKIIM-UHFFFAOYSA-N
XLogP4.17
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 20960519) is N-(2,5-dimethoxyphenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is COc1ccc(OC)c(Nc2ncc3c(n2)CCN(Cc2sccc2C)C3)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is LMCHRTMJLKKIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-14-7-9-28-20(14)13-25-8-6-17-15(12-25)11-22-21(23-17)24-18-10-16(26-2)4-5-19(18)27-3/h4-5,7,9-11H,6,8,12-13H2,1-3H3,(H,22,23,24).
What are the key properties of N-(2,5-dimethoxyphenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
N-(2,5-dimethoxyphenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 396.52 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 20960519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).