2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine

C11H11ClF3N5 — CID 106038126

IUPAC2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1c(CNc2cc(C(F)(F)F)nc(Cl)n2)cnn1C
InChIInChI=1S/C11H11ClF3N5/c1-6-7(5-17-20(6)2)4-16-9-3-8(11(13,14)15)18-10(12)19-9/h3,5H,4H2,1-2H3,(H,16,18,19)
InChIKeyXJUZFHAUJNCXQL-UHFFFAOYSA-N
MW305.69 g/mol
LogP2.80
Rot. Bonds3

About 2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine

2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106038126) has the molecular formula C11H11ClF3N5 and a molecular weight of 305.69 g/mol. Its IUPAC name is 2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106038126
Molecular FormulaC11H11ClF3N5
Molecular Weight305.69 g/mol
Exact Mass305.07
IUPAC Name2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1c(CNc2cc(C(F)(F)F)nc(Cl)n2)cnn1C
InChIInChI=1S/C11H11ClF3N5/c1-6-7(5-17-20(6)2)4-16-9-3-8(11(13,14)15)18-10(12)19-9/h3,5H,4H2,1-2H3,(H,16,18,19)
InChIKeyXJUZFHAUJNCXQL-UHFFFAOYSA-N
XLogP2.80
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.69
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 106038126) is 2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine is Cc1c(CNc2cc(C(F)(F)F)nc(Cl)n2)cnn1C.
What is the InChIKey of 2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is XJUZFHAUJNCXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N5/c1-6-7(5-17-20(6)2)4-16-9-3-8(11(13,14)15)18-10(12)19-9/h3,5H,4H2,1-2H3,(H,16,18,19).
What are the key properties of 2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 305.69 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106038126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).