4-N-(cyclopropylmethyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine;propane

C22H27F2N5O2 — CID 142380894

IUPAC4-N-(cyclopropylmethyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine;propane
SMILESCCC.COc1cc(OC)c(F)c(-c2nc(NCC3CC3)c3cc(N)ncc3n2)c1F
InChIInChI=1S/C19H19F2N5O2.C3H8/c1-27-12-6-13(28-2)17(21)15(16(12)20)19-25-11-8-23-14(22)5-10(11)18(26-19)24-7-9-3-4-9;1-3-2/h5-6,8-9H,3-4,7H2,1-2H3,(H2,22,23)(H,24,25,26);3H2,1-2H3
InChIKeyBKFFFCDYZAJJLX-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.81
Rot. Bonds6

About 4-N-(cyclopropylmethyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine;propane

4-N-(cyclopropylmethyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine;propane (PubChem CID 142380894) has the molecular formula C22H27F2N5O2 and a molecular weight of 431.49 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine;propane.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine;propane
PubChem CID142380894
Molecular FormulaC22H27F2N5O2
Molecular Weight431.49 g/mol
Exact Mass431.21
IUPAC Name4-N-(cyclopropylmethyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine;propane
SMILESCCC.COc1cc(OC)c(F)c(-c2nc(NCC3CC3)c3cc(N)ncc3n2)c1F
InChIInChI=1S/C19H19F2N5O2.C3H8/c1-27-12-6-13(28-2)17(21)15(16(12)20)19-25-11-8-23-14(22)5-10(11)18(26-19)24-7-9-3-4-9;1-3-2/h5-6,8-9H,3-4,7H2,1-2H3,(H2,22,23)(H,24,25,26);3H2,1-2H3
InChIKeyBKFFFCDYZAJJLX-UHFFFAOYSA-N
XLogP4.81
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-(cyclopropylmethyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine;propane 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

1-[(3R,4S)-4-[[4-(cyclopropylmethylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-6-yl]amino]oxolan-3-yl]but-3-en-2-one
CID 159322782
3-[7-amino-1-(cyclopropylmethylamino)-2,6-naphthyridin-3-yl]-4-fluoro-5-methoxy-2-phosphanylphenol
CID 139396017
2-(2,6-difluoro-3,5-dimethoxyphenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-6-amine
CID 139396210
3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(cyclopropylmethyl)-2,6-naphthyridine-1,7-diamine
CID 139395509
1-N-(cyclopentylmethyl)-3-(2-ethyl-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine-1,7-diamine
CID 139395861
2-chloro-N-(cyclopropylmethyl)-6,7-dimethoxyquinazolin-4-amine
CID 91756722
N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
CID 142381492
[8-(cyclopropylmethylamino)-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide
CID 142380933
2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-morpholin-4-ylpyrido[3,4-d]pyrimidin-6-amine
CID 139395646
8-N-cyclopropyl-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 139396194
6-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methylsulfanyl-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-8-amine
CID 139385526
N-[6-chloro-2-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-4-yl]cyclopropanecarboxamide
CID 135181399

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine;propane?
The IUPAC name of 4-N-(cyclopropylmethyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine;propane (CID 142380894) is 4-N-(cyclopropylmethyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine;propane.
What is the SMILES notation for 4-N-(cyclopropylmethyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine;propane?
The canonical SMILES for 4-N-(cyclopropylmethyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine;propane is CCC.COc1cc(OC)c(F)c(-c2nc(NCC3CC3)c3cc(N)ncc3n2)c1F.
What is the InChIKey of 4-N-(cyclopropylmethyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine;propane?
The InChIKey is BKFFFCDYZAJJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O2.C3H8/c1-27-12-6-13(28-2)17(21)15(16(12)20)19-25-11-8-23-14(22)5-10(11)18(26-19)24-7-9-3-4-9;1-3-2/h5-6,8-9H,3-4,7H2,1-2H3,(H2,22,23)(H,24,25,26);3H2,1-2H3.
What are the key properties of 4-N-(cyclopropylmethyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine;propane?
4-N-(cyclopropylmethyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine;propane has a molecular weight of 431.49 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopropylmethyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine;propane is sourced from PubChem (CID 142380894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).