8-(2,6-difluorophenyl)-2-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-diamine

C22H19F2N7O — CID 118162915

IUPAC8-(2,6-difluorophenyl)-2-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccc(N3CCOCC3)nc2)nc2c(-c3c(F)cccc3F)nccc12
InChIInChI=1S/C22H19F2N7O/c23-15-2-1-3-16(24)18(15)20-19-14(6-7-26-20)21(25)30-22(29-19)28-13-4-5-17(27-12-13)31-8-10-32-11-9-31/h1-7,12H,8-11H2,(H3,25,28,29,30)
InChIKeySUHRAWCCJNGRQO-UHFFFAOYSA-N
MW435.44 g/mol
LogP3.53
Rot. Bonds4

About 8-(2,6-difluorophenyl)-2-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-diamine

8-(2,6-difluorophenyl)-2-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-diamine (PubChem CID 118162915) has the molecular formula C22H19F2N7O and a molecular weight of 435.44 g/mol. Its IUPAC name is 8-(2,6-difluorophenyl)-2-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name8-(2,6-difluorophenyl)-2-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-diamine
PubChem CID118162915
Molecular FormulaC22H19F2N7O
Molecular Weight435.44 g/mol
Exact Mass435.16
IUPAC Name8-(2,6-difluorophenyl)-2-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccc(N3CCOCC3)nc2)nc2c(-c3c(F)cccc3F)nccc12
InChIInChI=1S/C22H19F2N7O/c23-15-2-1-3-16(24)18(15)20-19-14(6-7-26-20)21(25)30-22(29-19)28-13-4-5-17(27-12-13)31-8-10-32-11-9-31/h1-7,12H,8-11H2,(H3,25,28,29,30)
InChIKeySUHRAWCCJNGRQO-UHFFFAOYSA-N
XLogP3.53
TPSA102.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-(2,6-difluorophenyl)-2-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrido[3,4-d]pyrimidin-8-yl]phenyl]-2-(dimethylamino)but-2-enamide
CID 140869866
(E)-N-[3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrido[3,4-d]pyrimidin-8-yl]phenyl]-4-(dimethylamino)but-2-enamide
CID 118162848
N-[3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]quinazolin-8-yl]phenyl]prop-2-enamide
CID 118162922
8-(3-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
CID 118163034
N-(6-morpholin-4-yl-3-pyridinyl)-8-pyridin-2-ylpyrido[3,2-d]pyrimidin-2-amine
CID 118162872
4-(2-aminopyrimidin-5-yl)-5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-morpholin-4-ylpyrimidin-2-amine
CID 66820105
8-(2-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
CID 118163030
2-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137030175
8-(5-chloro-2-fluorophenyl)-2-N-(4-piperazin-1-ylphenyl)pyrido[3,4-d]pyrimidine-2,4-diamine
CID 126600120
methyl 6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylate
CID 151960591
8-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
CID 118163106
2,6-difluoro-N-[2-fluoro-5-[2-morpholin-4-yl-5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 58575912

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluorophenyl)-2-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-diamine?
The IUPAC name of 8-(2,6-difluorophenyl)-2-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-diamine (CID 118162915) is 8-(2,6-difluorophenyl)-2-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 8-(2,6-difluorophenyl)-2-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-diamine?
The canonical SMILES for 8-(2,6-difluorophenyl)-2-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-diamine is Nc1nc(Nc2ccc(N3CCOCC3)nc2)nc2c(-c3c(F)cccc3F)nccc12.
What is the InChIKey of 8-(2,6-difluorophenyl)-2-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-diamine?
The InChIKey is SUHRAWCCJNGRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N7O/c23-15-2-1-3-16(24)18(15)20-19-14(6-7-26-20)21(25)30-22(29-19)28-13-4-5-17(27-12-13)31-8-10-32-11-9-31/h1-7,12H,8-11H2,(H3,25,28,29,30).
What are the key properties of 8-(2,6-difluorophenyl)-2-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-diamine?
8-(2,6-difluorophenyl)-2-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-diamine has a molecular weight of 435.44 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluorophenyl)-2-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 118162915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).