8-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine

C20H19Cl2N5O2 — CID 167095704

IUPAC8-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(N)nc3c(N3CC4CC4C3)n2)c1Cl
InChIInChI=1S/C20H19Cl2N5O2/c1-28-13-5-14(29-2)17(22)15(16(13)21)12-4-9-6-24-20(23)26-18(9)19(25-12)27-7-10-3-11(10)8-27/h4-6,10-11H,3,7-8H2,1-2H3,(H2,23,24,26)
InChIKeyJHGBATCIALOJCS-UHFFFAOYSA-N
MW432.31 g/mol
LogP4.05
Rot. Bonds4

About 8-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine

8-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 167095704) has the molecular formula C20H19Cl2N5O2 and a molecular weight of 432.31 g/mol. Its IUPAC name is 8-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name8-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine
PubChem CID167095704
Molecular FormulaC20H19Cl2N5O2
Molecular Weight432.31 g/mol
Exact Mass431.09
IUPAC Name8-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(N)nc3c(N3CC4CC4C3)n2)c1Cl
InChIInChI=1S/C20H19Cl2N5O2/c1-28-13-5-14(29-2)17(22)15(16(13)21)12-4-9-6-24-20(23)26-18(9)19(25-12)27-7-10-3-11(10)8-27/h4-6,10-11H,3,7-8H2,1-2H3,(H2,23,24,26)
InChIKeyJHGBATCIALOJCS-UHFFFAOYSA-N
XLogP4.05
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.31
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine
CID 139395802
1-[2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-3-methylazetidine-3-carbonitrile
CID 139396013
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[3,4-d]pyrimidin-2-amine
CID 167095664
1-(3-azabicyclo[3.1.0]hexan-3-yl)-7-chloro-3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine
CID 139395439
1-[2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-3-methylpyrrolidin-3-ol;oxane
CID 142380857
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(2,2-dimethylpropyl)pyrido[3,4-d]pyrimidin-2-amine
CID 139395595
7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)azetidin-1-yl]-2,6-naphthyridin-3-amine
CID 139395618
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-N-[(1-methylazetidin-3-yl)methyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135179896
7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(3-methoxyazetidin-1-yl)-2,6-naphthyridine
CID 139385138
1-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-yl]-N,N-dimethylazetidin-3-amine
CID 139385249

Frequently Asked Questions

What is the IUPAC name of 8-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 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) is 8-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 8-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 8-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine is COc1cc(OC)c(Cl)c(-c2cc3cnc(N)nc3c(N3CC4CC4C3)n2)c1Cl.
What is the InChIKey of 8-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is JHGBATCIALOJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N5O2/c1-28-13-5-14(29-2)17(22)15(16(13)21)12-4-9-6-24-20(23)26-18(9)19(25-12)27-7-10-3-11(10)8-27/h4-6,10-11H,3,7-8H2,1-2H3,(H2,23,24,26).
What are the key properties of 8-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine?
8-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 432.31 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 167095704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).