5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine

C18H19ClN6O2S2 — CID 58169142

IUPAC5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine
SMILESO=S(=O)(c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1)N1CCCC1
InChIInChI=1S/C18H19ClN6O2S2/c19-12-10-20-18(22-17(12)21-15-9-13(23-24-15)11-3-4-11)14-5-6-16(28-14)29(26,27)25-7-1-2-8-25/h5-6,9-11H,1-4,7-8H2,(H2,20,21,22,23,24)
InChIKeyCUHUIAWWSLOCIP-UHFFFAOYSA-N
MW450.98 g/mol
LogP3.99
Rot. Bonds6

About 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine

5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine (PubChem CID 58169142) has the molecular formula C18H19ClN6O2S2 and a molecular weight of 450.98 g/mol. Its IUPAC name is 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine
PubChem CID58169142
Molecular FormulaC18H19ClN6O2S2
Molecular Weight450.98 g/mol
Exact Mass450.07
IUPAC Name5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine
SMILESO=S(=O)(c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1)N1CCCC1
InChIInChI=1S/C18H19ClN6O2S2/c19-12-10-20-18(22-17(12)21-15-9-13(23-24-15)11-3-4-11)14-5-6-16(28-14)29(26,27)25-7-1-2-8-25/h5-6,9-11H,1-4,7-8H2,(H2,20,21,22,23,24)
InChIKeyCUHUIAWWSLOCIP-UHFFFAOYSA-N
XLogP3.99
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.98
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

CID 50898364
CID 50898364
CID 50943452
CID 50943452
CID 50943292
CID 50943292
CID 50943377
CID 50943377
CID 50943864
CID 50943864
CID 58169162
CID 58169162
CID 134815860
CID 134815860
CID 59757919
CID 59757919
CID 68375232
CID 68375232
CID 50943451
CID 50943451
CID 50944028
CID 50944028
CID 58169151
CID 58169151

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine (CID 58169142) is 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine is O=S(=O)(c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1)N1CCCC1.
What is the InChIKey of 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine?
The InChIKey is CUHUIAWWSLOCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O2S2/c19-12-10-20-18(22-17(12)21-15-9-13(23-24-15)11-3-4-11)14-5-6-16(28-14)29(26,27)25-7-1-2-8-25/h5-6,9-11H,1-4,7-8H2,(H2,20,21,22,23,24).
What are the key properties of 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine?
5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine has a molecular weight of 450.98 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 58169142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).