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

C20H19Cl2N5O3 — CID 139396169

IUPAC6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(N)nc3c(N3CC4CC(C3)O4)n2)c1Cl
InChIInChI=1S/C20H19Cl2N5O3/c1-28-13-5-14(29-2)17(22)15(16(13)21)12-3-9-6-24-20(23)26-18(9)19(25-12)27-7-10-4-11(8-27)30-10/h3,5-6,10-11H,4,7-8H2,1-2H3,(H2,23,24,26)
InChIKeyFSRPYUOVGAKVPC-UHFFFAOYSA-N
MW448.31 g/mol
LogP3.58
Rot. Bonds4

About 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

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 (PubChem CID 139396169) has the molecular formula C20H19Cl2N5O3 and a molecular weight of 448.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyrimidin-2-amine
PubChem CID139396169
Molecular FormulaC20H19Cl2N5O3
Molecular Weight448.31 g/mol
Exact Mass447.09
IUPAC Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(N)nc3c(N3CC4CC(C3)O4)n2)c1Cl
InChIInChI=1S/C20H19Cl2N5O3/c1-28-13-5-14(29-2)17(22)15(16(13)21)12-3-9-6-24-20(23)26-18(9)19(25-12)27-7-10-4-11(8-27)30-10/h3,5-6,10-11H,4,7-8H2,1-2H3,(H2,23,24,26)
InChIKeyFSRPYUOVGAKVPC-UHFFFAOYSA-N
XLogP3.58
TPSA95.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(OC)c(Cl)c(-c2cc3cnc(N)nc3c(N3CC4CC(C3)O4)n2)c1Cl.
What is the InChIKey of 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?
The InChIKey is FSRPYUOVGAKVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N5O3/c1-28-13-5-14(29-2)17(22)15(16(13)21)12-3-9-6-24-20(23)26-18(9)19(25-12)27-7-10-4-11(8-27)30-10/h3,5-6,10-11H,4,7-8H2,1-2H3,(H2,23,24,26).
What are the key properties of 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?
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 has a molecular weight of 448.31 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139396169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).