N-methyl-4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine

C12H11F3N4 — CID 114563377

IUPACN-methyl-4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(-c2ccncc2C)cc(C(F)(F)F)n1
InChIInChI=1S/C12H11F3N4/c1-7-6-17-4-3-8(7)9-5-10(12(13,14)15)19-11(16-2)18-9/h3-6H,1-2H3,(H,16,18,19)
InChIKeyAXKIFBCDNAKVBH-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.91
Rot. Bonds2

About N-methyl-4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine

N-methyl-4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114563377) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is N-methyl-4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114563377
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC NameN-methyl-4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(-c2ccncc2C)cc(C(F)(F)F)n1
InChIInChI=1S/C12H11F3N4/c1-7-6-17-4-3-8(7)9-5-10(12(13,14)15)19-11(16-2)18-9/h3-6H,1-2H3,(H,16,18,19)
InChIKeyAXKIFBCDNAKVBH-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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Related Compounds

4-(2,6-difluoro-3-methylphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563489
4-(2,5-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563203
[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 91926616
4-(2,3-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563172
6-(3-methyl-4-pyridinyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769597
N-methyl-4-(1-methylimidazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563336
4-(2-fluoro-3-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563487
N-methyl-4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563283
5-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyridine-3-carbonitrile
CID 114563422
N-propyl-4-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563224
N,2-dimethyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
CID 102709116
6-(3-fluoro-4-pyridinyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716896

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-methyl-4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 114563377) is N-methyl-4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine is CNc1nc(-c2ccncc2C)cc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is AXKIFBCDNAKVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c1-7-6-17-4-3-8(7)9-5-10(12(13,14)15)19-11(16-2)18-9/h3-6H,1-2H3,(H,16,18,19).
What are the key properties of N-methyl-4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine?
N-methyl-4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-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-4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114563377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).