6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonyl chloride

C15H16ClF2N5O — CID 139300434

IUPAC6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonyl chloride
SMILESCc1cc(C)n(-c2nc(NC3CCC(F)(F)C3)cc(C(=O)Cl)n2)n1
InChIInChI=1S/C15H16ClF2N5O/c1-8-5-9(2)23(22-8)14-20-11(13(16)24)6-12(21-14)19-10-3-4-15(17,18)7-10/h5-6,10H,3-4,7H2,1-2H3,(H,19,20,21)
InChIKeyQAMVXGFUEDFNGC-UHFFFAOYSA-N
MW355.78 g/mol
LogP3.26
Rot. Bonds4

About 6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonyl chloride

6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonyl chloride (PubChem CID 139300434) has the molecular formula C15H16ClF2N5O and a molecular weight of 355.78 g/mol. Its IUPAC name is 6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonyl chloride.

Molecular Properties

Compound Name6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonyl chloride
PubChem CID139300434
Molecular FormulaC15H16ClF2N5O
Molecular Weight355.78 g/mol
Exact Mass355.10
IUPAC Name6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonyl chloride
SMILESCc1cc(C)n(-c2nc(NC3CCC(F)(F)C3)cc(C(=O)Cl)n2)n1
InChIInChI=1S/C15H16ClF2N5O/c1-8-5-9(2)23(22-8)14-20-11(13(16)24)6-12(21-14)19-10-3-4-15(17,18)7-10/h5-6,10H,3-4,7H2,1-2H3,(H,19,20,21)
InChIKeyQAMVXGFUEDFNGC-UHFFFAOYSA-N
XLogP3.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]pyrimidin-4-amine;(1-methyl-1,2,4-triazol-3-yl)methanol
CID 161017914
1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-4-methylpyrazole-3-carbonyl chloride
CID 139300213
[2-[(3,3-difluorocyclobutyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol
CID 139300436
[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(fluoromethyl)pyridin-2-amine
CID 158205230
2-(3,5-dimethylpyrazol-1-yl)-6-ethyl-N-piperidin-4-ylpyrimidin-4-amine
CID 71564132
[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl] 2-hydroxyacetate
CID 139300232
2-[6-[(3,3-difluorocyclopentyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 167837262
6-chloro-N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine
CID 139300814
3-aminopiperidin-2-one;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]cyclohexan-1-one;3-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methylpiperidin-2-one
CID 158698951
N-[6-(3,5-dimethylpiperidin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide
CID 24990393
N-(4,4-difluorocyclohexyl)-6-methoxy-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
CID 139319894
1-[4-[2-chloro-6-[(4,4-difluorocyclohexyl)amino]-4-pyridinyl]-4-hydroxypiperidin-1-yl]ethanone
CID 139300068

Frequently Asked Questions

What is the IUPAC name of 6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonyl chloride?
The IUPAC name of 6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonyl chloride (CID 139300434) is 6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonyl chloride.
What is the SMILES notation for 6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonyl chloride?
The canonical SMILES for 6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonyl chloride is Cc1cc(C)n(-c2nc(NC3CCC(F)(F)C3)cc(C(=O)Cl)n2)n1.
What is the InChIKey of 6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonyl chloride?
The InChIKey is QAMVXGFUEDFNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2N5O/c1-8-5-9(2)23(22-8)14-20-11(13(16)24)6-12(21-14)19-10-3-4-15(17,18)7-10/h5-6,10H,3-4,7H2,1-2H3,(H,19,20,21).
What are the key properties of 6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonyl chloride?
6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonyl chloride has a molecular weight of 355.78 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonyl chloride is sourced from PubChem (CID 139300434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).