2-amino-7-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-one

C19H18Cl2N4O3 — CID 167095625

IUPAC2-amino-7-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-one
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(N)nc3c(=O)n2CC2CC2)c1Cl
InChIInChI=1S/C19H18Cl2N4O3/c1-27-12-6-13(28-2)16(21)14(15(12)20)11-5-10-7-23-19(22)24-17(10)18(26)25(11)8-9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H2,22,23,24)
InChIKeyJLLLEMFHJNBOJL-UHFFFAOYSA-N
MW421.28 g/mol
LogP3.77
Rot. Bonds5

About 2-amino-7-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-one

2-amino-7-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-one (PubChem CID 167095625) has the molecular formula C19H18Cl2N4O3 and a molecular weight of 421.28 g/mol. Its IUPAC name is 2-amino-7-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name2-amino-7-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-one
PubChem CID167095625
Molecular FormulaC19H18Cl2N4O3
Molecular Weight421.28 g/mol
Exact Mass420.08
IUPAC Name2-amino-7-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-one
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(N)nc3c(=O)n2CC2CC2)c1Cl
InChIInChI=1S/C19H18Cl2N4O3/c1-27-12-6-13(28-2)16(21)14(15(12)20)11-5-10-7-23-19(22)24-17(10)18(26)25(11)8-9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H2,22,23,24)
InChIKeyJLLLEMFHJNBOJL-UHFFFAOYSA-N
XLogP3.77
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.28
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-[(1-methylpyrrolidin-3-yl)methyl]pyrido[3,4-d]pyrimidin-2-amine
CID 139395722
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[3,4-d]pyrimidin-2-amine
CID 167095664
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(2,2-dimethylpropyl)pyrido[3,4-d]pyrimidin-2-amine
CID 139395595
8-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine
CID 167095704
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-[(1-methylazetidin-3-yl)methyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135179896
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-(oxan-4-ylmethyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135179912
N-[[2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]methyl]methanesulfonamide
CID 167095702
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-(oxetan-3-ylmethyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135179900
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 139396169
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 135180014
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine
CID 139395802
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-(oxetan-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135179910

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 2-amino-7-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-one (CID 167095625) is 2-amino-7-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 2-amino-7-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 2-amino-7-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-one is COc1cc(OC)c(Cl)c(-c2cc3cnc(N)nc3c(=O)n2CC2CC2)c1Cl.
What is the InChIKey of 2-amino-7-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-one?
The InChIKey is JLLLEMFHJNBOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O3/c1-27-12-6-13(28-2)16(21)14(15(12)20)11-5-10-7-23-19(22)24-17(10)18(26)25(11)8-9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H2,22,23,24).
What are the key properties of 2-amino-7-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-one?
2-amino-7-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 421.28 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(cyclopropylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 167095625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).