N-methyl-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine

C12H11F3N4 — CID 138499882

IUPACN-methyl-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine
SMILESCNc1cnc(-c2cncc(C)c2)nc1C(F)(F)F
InChIInChI=1S/C12H11F3N4/c1-7-3-8(5-17-4-7)11-18-6-9(16-2)10(19-11)12(13,14)15/h3-6,16H,1-2H3
InChIKeyVAAKYTMGMHPSPU-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.91
Rot. Bonds2

About N-methyl-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine

N-methyl-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine (PubChem CID 138499882) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is N-methyl-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine.

Molecular Properties

Compound NameN-methyl-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine
PubChem CID138499882
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC NameN-methyl-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine
SMILESCNc1cnc(-c2cncc(C)c2)nc1C(F)(F)F
InChIInChI=1S/C12H11F3N4/c1-7-3-8(5-17-4-7)11-18-6-9(16-2)10(19-11)12(13,14)15/h3-6,16H,1-2H3
InChIKeyVAAKYTMGMHPSPU-UHFFFAOYSA-N
XLogP2.91
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine?
The IUPAC name of N-methyl-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine (CID 138499882) is N-methyl-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine.
What is the SMILES notation for N-methyl-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine?
The canonical SMILES for N-methyl-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine is CNc1cnc(-c2cncc(C)c2)nc1C(F)(F)F.
What is the InChIKey of N-methyl-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine?
The InChIKey is VAAKYTMGMHPSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c1-7-3-8(5-17-4-7)11-18-6-9(16-2)10(19-11)12(13,14)15/h3-6,16H,1-2H3.
What are the key properties of N-methyl-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine?
N-methyl-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine has a molecular weight of 268.24 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine is sourced from PubChem (CID 138499882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).