2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine

C10H9ClF3N5 — CID 114562824

IUPAC2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCn1ccc(CNc2cc(C(F)(F)F)nc(Cl)n2)n1
InChIInChI=1S/C10H9ClF3N5/c1-19-3-2-6(18-19)5-15-8-4-7(10(12,13)14)16-9(11)17-8/h2-4H,5H2,1H3,(H,15,16,17)
InChIKeyIGUCYDLBQNTLBD-UHFFFAOYSA-N
MW291.66 g/mol
LogP2.49
Rot. Bonds3

About 2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine

2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114562824) has the molecular formula C10H9ClF3N5 and a molecular weight of 291.66 g/mol. Its IUPAC name is 2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114562824
Molecular FormulaC10H9ClF3N5
Molecular Weight291.66 g/mol
Exact Mass291.05
IUPAC Name2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCn1ccc(CNc2cc(C(F)(F)F)nc(Cl)n2)n1
InChIInChI=1S/C10H9ClF3N5/c1-19-3-2-6(18-19)5-15-8-4-7(10(12,13)14)16-9(11)17-8/h2-4H,5H2,1H3,(H,15,16,17)
InChIKeyIGUCYDLBQNTLBD-UHFFFAOYSA-N
XLogP2.49
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.66
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(1-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772704
6-chloro-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 82873713
2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562843
2-chloro-6-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 114562739
4-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 106106748
6-chloro-2-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine
CID 104925117
2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 106038126
2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562584
2-chloro-N-(furan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 82460854
2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562494
2-tert-butyl-6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 82874800
2-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562561

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 114562824) is 2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine is Cn1ccc(CNc2cc(C(F)(F)F)nc(Cl)n2)n1.
What is the InChIKey of 2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is IGUCYDLBQNTLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N5/c1-19-3-2-6(18-19)5-15-8-4-7(10(12,13)14)16-9(11)17-8/h2-4H,5H2,1H3,(H,15,16,17).
What are the key properties of 2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 291.66 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114562824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).