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

C19H19Cl2N5O3 — CID 139395646

IUPAC2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-morpholin-4-ylpyrido[3,4-d]pyrimidin-6-amine
SMILESCOc1cc(OC)c(Cl)c(-c2nc(N3CCOCC3)c3cc(N)ncc3n2)c1Cl
InChIInChI=1S/C19H19Cl2N5O3/c1-27-12-8-13(28-2)17(21)15(16(12)20)18-24-11-9-23-14(22)7-10(11)19(25-18)26-3-5-29-6-4-26/h7-9H,3-6H2,1-2H3,(H2,22,23)
InChIKeyNRMKYHXLEASQCP-UHFFFAOYSA-N
MW436.30 g/mol
LogP3.43
Rot. Bonds4

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

2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-morpholin-4-ylpyrido[3,4-d]pyrimidin-6-amine (PubChem CID 139395646) has the molecular formula C19H19Cl2N5O3 and a molecular weight of 436.30 g/mol. Its IUPAC name is 2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-morpholin-4-ylpyrido[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-morpholin-4-ylpyrido[3,4-d]pyrimidin-6-amine
PubChem CID139395646
Molecular FormulaC19H19Cl2N5O3
Molecular Weight436.30 g/mol
Exact Mass435.09
IUPAC Name2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-morpholin-4-ylpyrido[3,4-d]pyrimidin-6-amine
SMILESCOc1cc(OC)c(Cl)c(-c2nc(N3CCOCC3)c3cc(N)ncc3n2)c1Cl
InChIInChI=1S/C19H19Cl2N5O3/c1-27-12-8-13(28-2)17(21)15(16(12)20)18-24-11-9-23-14(22)7-10(11)19(25-18)26-3-5-29-6-4-26/h7-9H,3-6H2,1-2H3,(H2,22,23)
InChIKeyNRMKYHXLEASQCP-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

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Related Compounds

2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-(6-oxa-2-azaspiro[3.4]octan-2-yl)pyrido[3,4-d]pyrimidin-6-amine;1-ethoxypropane
CID 142380853
1-[6-chloro-2-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 135181401
2-(2,6-difluoro-3,5-dimethoxyphenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-6-amine
CID 139396210
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine
CID 139395802
4-[7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-yl]morpholine
CID 135181397
1-[(3R,4S)-4-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]amino]oxolan-3-yl]but-3-en-2-one
CID 158007819
N-[(3R,4S)-4-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrido[3,4-d]pyrimidin-6-yl]amino]oxolan-3-yl]prop-2-enamide
CID 135180689
N-[(3S,4S)-3-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrido[3,4-d]pyrimidin-6-yl]amino]oxan-4-yl]acetamide
CID 139456458
6-[6-chloro-2-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane
CID 139385426
N-[(3R,4S)-4-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-(1-oxa-6-azaspiro[3.3]heptan-6-yl)pyrido[3,4-d]pyrimidin-6-yl]amino]oxolan-3-yl]prop-2-enamide
CID 139385289
6-chloro-2-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-4-(3,3-difluoroazetidin-1-yl)pyrido[3,4-d]pyrimidine
CID 142381002
N-[(3S,4S)-3-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-(3-methoxypyrrolidin-1-yl)pyrido[3,4-d]pyrimidin-6-yl]amino]oxan-4-yl]prop-2-enamide
CID 135180214

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-morpholin-4-ylpyrido[3,4-d]pyrimidin-6-amine?
The IUPAC name of 2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-morpholin-4-ylpyrido[3,4-d]pyrimidin-6-amine (CID 139395646) is 2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-morpholin-4-ylpyrido[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-morpholin-4-ylpyrido[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-morpholin-4-ylpyrido[3,4-d]pyrimidin-6-amine is COc1cc(OC)c(Cl)c(-c2nc(N3CCOCC3)c3cc(N)ncc3n2)c1Cl.
What is the InChIKey of 2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-morpholin-4-ylpyrido[3,4-d]pyrimidin-6-amine?
The InChIKey is NRMKYHXLEASQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O3/c1-27-12-8-13(28-2)17(21)15(16(12)20)18-24-11-9-23-14(22)7-10(11)19(25-18)26-3-5-29-6-4-26/h7-9H,3-6H2,1-2H3,(H2,22,23).
What are the key properties of 2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-morpholin-4-ylpyrido[3,4-d]pyrimidin-6-amine?
2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-morpholin-4-ylpyrido[3,4-d]pyrimidin-6-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 2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-morpholin-4-ylpyrido[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 139395646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).