4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(methylsulfonylmethyl)phenyl]quinazoline-2,4-diamine

C22H22N6O2S — CID 177020193

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(methylsulfonylmethyl)phenyl]quinazoline-2,4-diamine
SMILESCS(=O)(=O)Cc1ccc(Nc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1
InChIInChI=1S/C22H22N6O2S/c1-31(29,30)13-14-6-10-16(11-7-14)23-22-24-18-5-3-2-4-17(18)21(26-22)25-20-12-19(27-28-20)15-8-9-15/h2-7,10-12,15H,8-9,13H2,1H3,(H3,23,24,25,26,27,28)
InChIKeyZRLQLWYCTRVSLI-UHFFFAOYSA-N
MW434.53 g/mol
LogP4.26
Rot. Bonds7

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(methylsulfonylmethyl)phenyl]quinazoline-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(methylsulfonylmethyl)phenyl]quinazoline-2,4-diamine (PubChem CID 177020193) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(methylsulfonylmethyl)phenyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(methylsulfonylmethyl)phenyl]quinazoline-2,4-diamine
PubChem CID177020193
Molecular FormulaC22H22N6O2S
Molecular Weight434.53 g/mol
Exact Mass434.15
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(methylsulfonylmethyl)phenyl]quinazoline-2,4-diamine
SMILESCS(=O)(=O)Cc1ccc(Nc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1
InChIInChI=1S/C22H22N6O2S/c1-31(29,30)13-14-6-10-16(11-7-14)23-22-24-18-5-3-2-4-17(18)21(26-22)25-20-12-19(27-28-20)15-8-9-15/h2-7,10-12,15H,8-9,13H2,1H3,(H3,23,24,25,26,27,28)
InChIKeyZRLQLWYCTRVSLI-UHFFFAOYSA-N
XLogP4.26
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(methylsulfonylmethyl)phenyl]quinazoline-2,4-diamine with MolForge

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Related Compounds

2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenoxy]acetonitrile
CID 10178929
2-N-(cyclopropylmethyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 70693804
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 10109287
N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(4-phenylquinazolin-2-yl)amino]benzamide
CID 25070810
6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methoxymethyl]-1,2-dihydroindazol-3-one
CID 58936121
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 59758147
2-(2-chlorophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10271923
2-N-[1-(azetidin-1-ylsulfonyl)piperidin-4-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 156903125
6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[2-(iodomethyl)phenyl]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one
CID 89337900
4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(3-phenylphenyl)quinazoline-2,4-diamine
CID 10178621
tert-butyl N-[[4-[[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]carbamate
CID 11569591
N-[[4-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]amino]phenyl]methyl]cyclopropanesulfonamide
CID 58217539

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(methylsulfonylmethyl)phenyl]quinazoline-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(methylsulfonylmethyl)phenyl]quinazoline-2,4-diamine (CID 177020193) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(methylsulfonylmethyl)phenyl]quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(methylsulfonylmethyl)phenyl]quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(methylsulfonylmethyl)phenyl]quinazoline-2,4-diamine is CS(=O)(=O)Cc1ccc(Nc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(methylsulfonylmethyl)phenyl]quinazoline-2,4-diamine?
The InChIKey is ZRLQLWYCTRVSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S/c1-31(29,30)13-14-6-10-16(11-7-14)23-22-24-18-5-3-2-4-17(18)21(26-22)25-20-12-19(27-28-20)15-8-9-15/h2-7,10-12,15H,8-9,13H2,1H3,(H3,23,24,25,26,27,28).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(methylsulfonylmethyl)phenyl]quinazoline-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(methylsulfonylmethyl)phenyl]quinazoline-2,4-diamine has a molecular weight of 434.53 g/mol, XLogP of 4.26, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(methylsulfonylmethyl)phenyl]quinazoline-2,4-diamine is sourced from PubChem (CID 177020193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).