N-methyl-5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine

C12H14F3N5 — CID 80867813

IUPACN-methyl-5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
SMILESCNc1ncnc(-n2cc(C(F)(F)F)cn2)c1C(C)C
InChIInChI=1S/C12H14F3N5/c1-7(2)9-10(16-3)17-6-18-11(9)20-5-8(4-19-20)12(13,14)15/h4-7H,1-3H3,(H,16,17,18)
InChIKeyLBISOYTUURKNRH-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.85
Rot. Bonds3

About N-methyl-5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine

N-methyl-5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine (PubChem CID 80867813) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is N-methyl-5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
PubChem CID80867813
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC NameN-methyl-5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
SMILESCNc1ncnc(-n2cc(C(F)(F)F)cn2)c1C(C)C
InChIInChI=1S/C12H14F3N5/c1-7(2)9-10(16-3)17-6-18-11(9)20-5-8(4-19-20)12(13,14)15/h4-7H,1-3H3,(H,16,17,18)
InChIKeyLBISOYTUURKNRH-UHFFFAOYSA-N
XLogP2.85
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine (CID 80867813) is N-methyl-5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine is CNc1ncnc(-n2cc(C(F)(F)F)cn2)c1C(C)C.
What is the InChIKey of N-methyl-5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The InChIKey is LBISOYTUURKNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-7(2)9-10(16-3)17-6-18-11(9)20-5-8(4-19-20)12(13,14)15/h4-7H,1-3H3,(H,16,17,18).
What are the key properties of N-methyl-5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
N-methyl-5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine has a molecular weight of 285.27 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 80867813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).