4-methyl-6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-2-amine

C16H17F3N4 — CID 112910147

IUPAC4-methyl-6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-2-amine
SMILESCc1cc(N2CCCCC2)nc(Nc2ccc(F)c(F)c2F)n1
InChIInChI=1S/C16H17F3N4/c1-10-9-13(23-7-3-2-4-8-23)22-16(20-10)21-12-6-5-11(17)14(18)15(12)19/h5-6,9H,2-4,7-8H2,1H3,(H,20,21,22)
InChIKeyIRNNSCCVIDQQLZ-UHFFFAOYSA-N
MW322.33 g/mol
LogP3.94
Rot. Bonds3

About 4-methyl-6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-2-amine

4-methyl-6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-2-amine (PubChem CID 112910147) has the molecular formula C16H17F3N4 and a molecular weight of 322.33 g/mol. Its IUPAC name is 4-methyl-6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-2-amine
PubChem CID112910147
Molecular FormulaC16H17F3N4
Molecular Weight322.33 g/mol
Exact Mass322.14
IUPAC Name4-methyl-6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-2-amine
SMILESCc1cc(N2CCCCC2)nc(Nc2ccc(F)c(F)c2F)n1
InChIInChI=1S/C16H17F3N4/c1-10-9-13(23-7-3-2-4-8-23)22-16(20-10)21-12-6-5-11(17)14(18)15(12)19/h5-6,9H,2-4,7-8H2,1H3,(H,20,21,22)
InChIKeyIRNNSCCVIDQQLZ-UHFFFAOYSA-N
XLogP3.94
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(azepan-1-yl)-6-methyl-N-(2,3,4-trifluorophenyl)pyrimidin-2-amine
CID 112926668
N-(4-chloro-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909339
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910131
N-(2,5-dimethylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909317
4-(azepan-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 112926580
N-(4-tert-butylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910070
4-(azepan-1-yl)-N-(3,4-dichlorophenyl)-6-methylpyrimidin-2-amine
CID 112926654
6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-4-amine
CID 112856176
6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carbothioamide
CID 107546277
N-(2,4-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 112914275
methyl 3-[[4-(azepan-1-yl)-6-methylpyrimidin-2-yl]amino]-4-chlorobenzoate
CID 112926627
(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)hydrazine
CID 80927767

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-2-amine (CID 112910147) is 4-methyl-6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-2-amine is Cc1cc(N2CCCCC2)nc(Nc2ccc(F)c(F)c2F)n1.
What is the InChIKey of 4-methyl-6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-2-amine?
The InChIKey is IRNNSCCVIDQQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4/c1-10-9-13(23-7-3-2-4-8-23)22-16(20-10)21-12-6-5-11(17)14(18)15(12)19/h5-6,9H,2-4,7-8H2,1H3,(H,20,21,22).
What are the key properties of 4-methyl-6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-2-amine?
4-methyl-6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-2-amine has a molecular weight of 322.33 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 112910147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).