N-ethyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-2-amine

C10H10F3N5 — CID 114566044

IUPACN-ethyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(-n2cccn2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N5/c1-2-14-9-16-7(10(11,12)13)6-8(17-9)18-5-3-4-15-18/h3-6H,2H2,1H3,(H,14,16,17)
InChIKeyDXHLAOWZJNKCJT-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.11
Rot. Bonds3

About N-ethyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-2-amine

N-ethyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114566044) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is N-ethyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114566044
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC NameN-ethyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(-n2cccn2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N5/c1-2-14-9-16-7(10(11,12)13)6-8(17-9)18-5-3-4-15-18/h3-6H,2H2,1H3,(H,14,16,17)
InChIKeyDXHLAOWZJNKCJT-UHFFFAOYSA-N
XLogP2.11
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol
CID 114563784
4-(4-chloropyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566071
4-(4-iodopyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566114
2,6-di(pyrazol-1-yl)-4-(trifluoromethyl)pyridine
CID 170460067
N-ethyl-4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821865
4-(2,2-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564198
4-(2,5-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564122
N-ethyl-4-(2-methylthiomorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114565946
4-tert-butylsulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566701
N-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566081
2-N-ethyl-4-N-(2-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563569
N-ethyl-4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821862

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-2-amine (CID 114566044) is N-ethyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-2-amine is CCNc1nc(-n2cccn2)cc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is DXHLAOWZJNKCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c1-2-14-9-16-7(10(11,12)13)6-8(17-9)18-5-3-4-15-18/h3-6H,2H2,1H3,(H,14,16,17).
What are the key properties of N-ethyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-2-amine?
N-ethyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 257.22 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114566044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).