2-N-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine

C19H18F3N5O2S — CID 58275364

IUPAC2-N-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCS(=O)(=O)c1cccc(-c2ccc3nc(NC4CC4)nc(NCC(F)(F)F)c3n2)c1
InChIInChI=1S/C19H18F3N5O2S/c1-30(28,29)13-4-2-3-11(9-13)14-7-8-15-16(25-14)17(23-10-19(20,21)22)27-18(26-15)24-12-5-6-12/h2-4,7-9,12H,5-6,10H2,1H3,(H2,23,24,26,27)
InChIKeyOVXNTFYIPOYFFL-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.64
Rot. Bonds6

About 2-N-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine

2-N-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 58275364) has the molecular formula C19H18F3N5O2S and a molecular weight of 437.45 g/mol. Its IUPAC name is 2-N-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID58275364
Molecular FormulaC19H18F3N5O2S
Molecular Weight437.45 g/mol
Exact Mass437.11
IUPAC Name2-N-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCS(=O)(=O)c1cccc(-c2ccc3nc(NC4CC4)nc(NCC(F)(F)F)c3n2)c1
InChIInChI=1S/C19H18F3N5O2S/c1-30(28,29)13-4-2-3-11(9-13)14-7-8-15-16(25-14)17(23-10-19(20,21)22)27-18(26-15)24-12-5-6-12/h2-4,7-9,12H,5-6,10H2,1H3,(H2,23,24,26,27)
InChIKeyOVXNTFYIPOYFFL-UHFFFAOYSA-N
XLogP3.64
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 67162293
4-[(1R)-1-[[6-(5-methylsulfonyl-3-pyridinyl)-4-(2,2,2-trifluoroethylamino)pyrido[3,2-d]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 58275404
3-[2-(2-methoxyethylamino)-4-(2,2,2-trifluoroethylamino)pyrido[3,2-d]pyrimidin-6-yl]benzenesulfinic acid
CID 70927246
2-N-[(3-fluoro-4-methylphenyl)methyl]-6-(4-methoxy-3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 58275512
2-ethoxy-5-[2-[1-(4-sulfamoylphenyl)ethylamino]-4-(2,2,2-trifluoroethylamino)pyrido[3,2-d]pyrimidin-6-yl]benzenesulfonamide
CID 76738433
N-[2-fluoro-4-[2-[(4-sulfamoylphenyl)methylamino]-4-(2,2,2-trifluoroethylamino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-1-methylpyrrolidine-3-carboxamide
CID 24960752
[4-[2-[(4-sulfamoylphenyl)methylamino]-4-(2,2,2-trifluoroethylamino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]carbamic acid
CID 69319720
6-(3-methylsulfonylphenyl)-8-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 67162606
2-[[6-(3-methylsulfonylcyclohexa-1,5-dien-1-yl)-4-(2,2,2-trifluoroethylamino)pyrido[3,2-d]pyrimidin-2-yl]amino]propanoic acid
CID 91570740
N-[[4-(2,3-dihydrofuran-3-yl)phenyl]methyl]-4-(1-methylcyclopropyl)oxy-6-(3-methylsulfonylphenyl)pyrido[3,2-d]pyrimidin-2-amine
CID 70927216
6-(3-methylsulfonylphenyl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 166400304
4-[[[6-(2-methyl-3,4-dihydropyrazol-4-yl)-4-(2,2,2-trifluoroethylamino)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide
CID 71082042

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine (CID 58275364) is 2-N-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine is CS(=O)(=O)c1cccc(-c2ccc3nc(NC4CC4)nc(NCC(F)(F)F)c3n2)c1.
What is the InChIKey of 2-N-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is OVXNTFYIPOYFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2S/c1-30(28,29)13-4-2-3-11(9-13)14-7-8-15-16(25-14)17(23-10-19(20,21)22)27-18(26-15)24-12-5-6-12/h2-4,7-9,12H,5-6,10H2,1H3,(H2,23,24,26,27).
What are the key properties of 2-N-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
2-N-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 437.45 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 58275364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).