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

C19H18F3N5O2S — CID 67162293

IUPAC8-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCS(=O)(=O)c1cccc(-c2cc(C3CC3)c3nc(N)nc(NCC(F)(F)F)c3n2)c1
InChIInChI=1S/C19H18F3N5O2S/c1-30(28,29)12-4-2-3-11(7-12)14-8-13(10-5-6-10)15-16(25-14)17(27-18(23)26-15)24-9-19(20,21)22/h2-4,7-8,10H,5-6,9H2,1H3,(H3,23,24,26,27)
InChIKeyDLPUIHRAEOXFNJ-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.53
Rot. Bonds5

About 8-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine

8-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 67162293) has the molecular formula C19H18F3N5O2S and a molecular weight of 437.45 g/mol. Its IUPAC name is 8-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name8-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID67162293
Molecular FormulaC19H18F3N5O2S
Molecular Weight437.45 g/mol
Exact Mass437.11
IUPAC Name8-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCS(=O)(=O)c1cccc(-c2cc(C3CC3)c3nc(N)nc(NCC(F)(F)F)c3n2)c1
InChIInChI=1S/C19H18F3N5O2S/c1-30(28,29)12-4-2-3-11(7-12)14-8-13(10-5-6-10)15-16(25-14)17(27-18(23)26-15)24-9-19(20,21)22/h2-4,7-8,10H,5-6,9H2,1H3,(H3,23,24,26,27)
InChIKeyDLPUIHRAEOXFNJ-UHFFFAOYSA-N
XLogP3.53
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 58275364
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
6-[4-(difluoromethoxy)-3-methylsulfonylphenyl]-8-[(3-methylsulfonylphenyl)methyl]-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 67162890
(2S)-2-amino-N-[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]sulfonyl-2-cyclopropylacetamide
CID 122490773
N-[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]sulfonyl-2-cyclohexylacetamide
CID 145138075
ethane;4-methyl-6-(3-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 143206149
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-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 167938781
tert-butyl N-[(1S)-2-[[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]sulfonylamino]-1-cyclohexyl-2-oxoethyl]carbamate
CID 122490820
[4-(3-methylsulfonylphenyl)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 166611510
2-(1,1-difluoroethyl)-6-methylsulfonylpyridine
CID 146530931
2-amino-4-[3-(3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline-3-carboxamide
CID 68879223

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 8-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine (CID 67162293) is 8-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 8-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 8-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine is CS(=O)(=O)c1cccc(-c2cc(C3CC3)c3nc(N)nc(NCC(F)(F)F)c3n2)c1.
What is the InChIKey of 8-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is DLPUIHRAEOXFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2S/c1-30(28,29)12-4-2-3-11(7-12)14-8-13(10-5-6-10)15-16(25-14)17(27-18(23)26-15)24-9-19(20,21)22/h2-4,7-8,10H,5-6,9H2,1H3,(H3,23,24,26,27).
What are the key properties of 8-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
8-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 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-6-(3-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)pyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 67162293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).