6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine

C19H19Cl2N5O3 — CID 139395802

IUPAC6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(N)nc3c(N3CCOCC3)n2)c1Cl
InChIInChI=1S/C19H19Cl2N5O3/c1-27-12-8-13(28-2)16(21)14(15(12)20)11-7-10-9-23-19(22)25-17(10)18(24-11)26-3-5-29-6-4-26/h7-9H,3-6H2,1-2H3,(H2,22,23,25)
InChIKeyUXDQJTSSBIRDRT-UHFFFAOYSA-N
MW436.30 g/mol
LogP3.43
Rot. Bonds4

About 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine

6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine (PubChem CID 139395802) has the molecular formula C19H19Cl2N5O3 and a molecular weight of 436.30 g/mol. Its IUPAC name is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine
PubChem CID139395802
Molecular FormulaC19H19Cl2N5O3
Molecular Weight436.30 g/mol
Exact Mass435.09
IUPAC Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(N)nc3c(N3CCOCC3)n2)c1Cl
InChIInChI=1S/C19H19Cl2N5O3/c1-27-12-8-13(28-2)16(21)14(15(12)20)11-7-10-9-23-19(22)25-17(10)18(24-11)26-3-5-29-6-4-26/h7-9H,3-6H2,1-2H3,(H2,22,23,25)
InChIKeyUXDQJTSSBIRDRT-UHFFFAOYSA-N
XLogP3.43
TPSA95.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine with MolForge

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Related Compounds

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-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 139396169
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
4-[7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-yl]morpholine
CID 135181397
1-[2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-3-methylazetidine-3-carbonitrile
CID 139396013
[2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(2-morpholin-4-ylethyl)azanide
CID 142381129
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[3,4-d]pyrimidin-2-amine
CID 167095664
8-(azetidin-1-yl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[3,4-d]pyrimidine
CID 139385562
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-(oxan-4-ylmethyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135179912
4-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]pyrido[3,4-d]pyrimidin-8-yl]morpholine
CID 146283452
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-(oxetan-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135179910
1-[[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-yl]amino]oxolan-3-yl]amino]prop-2-en-1-ol
CID 167095727

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine (CID 139395802) is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine is COc1cc(OC)c(Cl)c(-c2cc3cnc(N)nc3c(N3CCOCC3)n2)c1Cl.
What is the InChIKey of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is UXDQJTSSBIRDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O3/c1-27-12-8-13(28-2)16(21)14(15(12)20)11-7-10-9-23-19(22)25-17(10)18(24-11)26-3-5-29-6-4-26/h7-9H,3-6H2,1-2H3,(H2,22,23,25).
What are the key properties of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine?
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 436.30 g/mol, XLogP of 3.43, 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-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 139395802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).