4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methylsulfonylthiophen-2-yl)pyrimidine-4,6-diamine

C15H16N6O2S2 — CID 70792528

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methylsulfonylthiophen-2-yl)pyrimidine-4,6-diamine
SMILESCS(=O)(=O)c1ccc(-c2nc(N)cc(Nc3cc(C4CC4)[nH]n3)n2)s1
InChIInChI=1S/C15H16N6O2S2/c1-25(22,23)14-5-4-10(24-14)15-17-11(16)7-12(19-15)18-13-6-9(20-21-13)8-2-3-8/h4-8H,2-3H2,1H3,(H4,16,17,18,19,20,21)
InChIKeyZHBATHPWTMRHNS-UHFFFAOYSA-N
MW376.47 g/mol
LogP2.53
Rot. Bonds5

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methylsulfonylthiophen-2-yl)pyrimidine-4,6-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methylsulfonylthiophen-2-yl)pyrimidine-4,6-diamine (PubChem CID 70792528) has the molecular formula C15H16N6O2S2 and a molecular weight of 376.47 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methylsulfonylthiophen-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methylsulfonylthiophen-2-yl)pyrimidine-4,6-diamine
PubChem CID70792528
Molecular FormulaC15H16N6O2S2
Molecular Weight376.47 g/mol
Exact Mass376.08
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methylsulfonylthiophen-2-yl)pyrimidine-4,6-diamine
SMILESCS(=O)(=O)c1ccc(-c2nc(N)cc(Nc3cc(C4CC4)[nH]n3)n2)s1
InChIInChI=1S/C15H16N6O2S2/c1-25(22,23)14-5-4-10(24-14)15-17-11(16)7-12(19-15)18-13-6-9(20-21-13)8-2-3-8/h4-8H,2-3H2,1H3,(H4,16,17,18,19,20,21)
InChIKeyZHBATHPWTMRHNS-UHFFFAOYSA-N
XLogP2.53
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-[4-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen
CID 159630920
2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(5-methylsulfonylthiophen-2-yl)-3-pyridinyl]acetic acid
CID 123724789
2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidine-4-carboxylic acid
CID 90230196
5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen
CID 159662036
5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynyl-6-methylpyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen
CID 158743301
5-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]thiophene-2-sulfonamide;molecular hydrogen
CID 160774366
5-[4-amino-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;1-[2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4-methyl-1,3-thiazol-5-yl]ethanol;5-[4-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen
CID 159655622
5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide
CID 58169441
N-tert-butyl-5-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methyl-2-pyridinyl]thiophene-2-sulfonamide
CID 58169181
N-[2-[[5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;molecular hydrogen
CID 161217661
CID 70792463
CID 70792463
N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]-2,2-dimethylpropanamide
CID 50943688

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methylsulfonylthiophen-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methylsulfonylthiophen-2-yl)pyrimidine-4,6-diamine (CID 70792528) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methylsulfonylthiophen-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methylsulfonylthiophen-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methylsulfonylthiophen-2-yl)pyrimidine-4,6-diamine is CS(=O)(=O)c1ccc(-c2nc(N)cc(Nc3cc(C4CC4)[nH]n3)n2)s1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methylsulfonylthiophen-2-yl)pyrimidine-4,6-diamine?
The InChIKey is ZHBATHPWTMRHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S2/c1-25(22,23)14-5-4-10(24-14)15-17-11(16)7-12(19-15)18-13-6-9(20-21-13)8-2-3-8/h4-8H,2-3H2,1H3,(H4,16,17,18,19,20,21).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methylsulfonylthiophen-2-yl)pyrimidine-4,6-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methylsulfonylthiophen-2-yl)pyrimidine-4,6-diamine has a molecular weight of 376.47 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methylsulfonylthiophen-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 70792528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).