5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)pyrimidin-4-amine

C17H19ClN6S — CID 58169387

IUPAC5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCc1nc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)sc1C(C)C
InChIInChI=1S/C17H19ClN6S/c1-8(2)14-9(3)20-17(25-14)16-19-7-11(18)15(22-16)21-13-6-12(23-24-13)10-4-5-10/h6-8,10H,4-5H2,1-3H3,(H2,19,21,22,23,24)
InChIKeyWQMPFVLLGQUYSU-UHFFFAOYSA-N
MW374.90 g/mol
LogP5.03
Rot. Bonds5

About 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)pyrimidin-4-amine

5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)pyrimidin-4-amine (PubChem CID 58169387) has the molecular formula C17H19ClN6S and a molecular weight of 374.90 g/mol. Its IUPAC name is 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)pyrimidin-4-amine
PubChem CID58169387
Molecular FormulaC17H19ClN6S
Molecular Weight374.90 g/mol
Exact Mass374.11
IUPAC Name5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCc1nc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)sc1C(C)C
InChIInChI=1S/C17H19ClN6S/c1-8(2)14-9(3)20-17(25-14)16-19-7-11(18)15(22-16)21-13-6-12(23-24-13)10-4-5-10/h6-8,10H,4-5H2,1-3H3,(H2,19,21,22,23,24)
InChIKeyWQMPFVLLGQUYSU-UHFFFAOYSA-N
XLogP5.03
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.90
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)pyrimidin-4-amine with MolForge

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Related Compounds

5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylthiophen-2-yl)pyrimidin-4-amine
CID 90383982
5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methylsulfinylthiophen-2-yl)pyrimidin-4-amine
CID 58169128
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-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethanimidoylthiophen-2-yl)pyrimidin-4-amine
CID 90381576
5-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 68602988
methyl N-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methyl]carbamate
CID 58169237
5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide
CID 58169441
2-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-thiophen-2-ylethanol
CID 68898848
N-tert-butyl-5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-sulfonamide
CID 58169487
4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]benzoic acid
CID 58169209
5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboximidamide;1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethane-1,2-diol;1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]ethane-1,2-diol;molecular hydrogen
CID 158598531
CID 88969890
CID 88969890

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)pyrimidin-4-amine (CID 58169387) is 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)pyrimidin-4-amine is Cc1nc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)sc1C(C)C.
What is the InChIKey of 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The InChIKey is WQMPFVLLGQUYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6S/c1-8(2)14-9(3)20-17(25-14)16-19-7-11(18)15(22-16)21-13-6-12(23-24-13)10-4-5-10/h6-8,10H,4-5H2,1-3H3,(H2,19,21,22,23,24).
What are the key properties of 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)pyrimidin-4-amine?
5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)pyrimidin-4-amine has a molecular weight of 374.90 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 58169387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).