7-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine

C11H8ClF3N6 — CID 86604557

IUPAC7-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cc(Nc2nc(Cl)cc3nc(C(F)(F)F)cn23)n[nH]1
InChIInChI=1S/C11H8ClF3N6/c1-5-2-8(20-19-5)18-10-17-7(12)3-9-16-6(4-21(9)10)11(13,14)15/h2-4H,1H3,(H2,17,18,19,20)
InChIKeyDNKXSRSEZWCKRH-UHFFFAOYSA-N
MW316.67 g/mol
LogP3.18
Rot. Bonds2

About 7-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine

7-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 86604557) has the molecular formula C11H8ClF3N6 and a molecular weight of 316.67 g/mol. Its IUPAC name is 7-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine
PubChem CID86604557
Molecular FormulaC11H8ClF3N6
Molecular Weight316.67 g/mol
Exact Mass316.05
IUPAC Name7-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cc(Nc2nc(Cl)cc3nc(C(F)(F)F)cn23)n[nH]1
InChIInChI=1S/C11H8ClF3N6/c1-5-2-8(20-19-5)18-10-17-7(12)3-9-16-6(4-21(9)10)11(13,14)15/h2-4H,1H3,(H2,17,18,19,20)
InChIKeyDNKXSRSEZWCKRH-UHFFFAOYSA-N
XLogP3.18
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.67
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 122193829
7-Imidazol-1-yl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 35417569
N-[(1-isobutyl-1H-imidazol-5-yl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56892306
N-{2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}-1-methyl-1H-pyrazol-4-amine
CID 134161211
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazol-3-amine
CID 138018656
6-chloro-4-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 25104389
6-Chloro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 50993803
2-chloro-7-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine
CID 87343896
2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrrolo[1,2-a][1,3,5]triazin-4-amine
CID 87350604
6-chloro-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 88850918
6-chloro-3-ethyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
CID 123437595
6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyrazine
CID 168208604

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 7-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine (CID 86604557) is 7-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 7-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 7-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine is Cc1cc(Nc2nc(Cl)cc3nc(C(F)(F)F)cn23)n[nH]1.
What is the InChIKey of 7-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is DNKXSRSEZWCKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N6/c1-5-2-8(20-19-5)18-10-17-7(12)3-9-16-6(4-21(9)10)11(13,14)15/h2-4H,1H3,(H2,17,18,19,20).
What are the key properties of 7-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine?
7-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 316.67 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 86604557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).