5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine

C19H22N6 — CID 30936887

IUPAC5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine
SMILESCc1cnc(N2CCC[C@@H](c3ccccc3)C2)nc1-c1ncnn1C
InChIInChI=1S/C19H22N6/c1-14-11-20-19(23-17(14)18-21-13-22-24(18)2)25-10-6-9-16(12-25)15-7-4-3-5-8-15/h3-5,7-8,11,13,16H,6,9-10,12H2,1-2H3/t16-/m1/s1
InChIKeyGIPKEDZLEZAWAA-MRXNPFEDSA-N
MW334.43 g/mol
LogP2.96
Rot. Bonds3

About 5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine

5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine (PubChem CID 30936887) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine
PubChem CID30936887
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine
SMILESCc1cnc(N2CCC[C@@H](c3ccccc3)C2)nc1-c1ncnn1C
InChIInChI=1S/C19H22N6/c1-14-11-20-19(23-17(14)18-21-13-22-24(18)2)25-10-6-9-16(12-25)15-7-4-3-5-8-15/h3-5,7-8,11,13,16H,6,9-10,12H2,1-2H3/t16-/m1/s1
InChIKeyGIPKEDZLEZAWAA-MRXNPFEDSA-N
XLogP2.96
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-1-[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 45229674
4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid
CID 83178302
N-methyl-1-[4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine
CID 83178916
5-iodo-2-(3-phenylpyrrolidin-1-yl)pyrimidine
CID 104843440
1-[4-(4-chlorophenyl)-5-methylpyrimidin-2-yl]piperidin-3-amine
CID 103278417
2-[(3S)-3-(4-fluorophenoxy)piperidin-1-yl]-5-methyl-4-(1-methylpyrazol-4-yl)pyrimidine
CID 29029318
4-morpholin-4-yl-6-(3-phenylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile
CID 10473082
2-(3-phenylpiperidin-1-yl)aniline
CID 166583741
N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenylpiperidin-1-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine
CID 68844084
4-amino-2-[(3R)-3-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine-5-carbonitrile
CID 95222230
5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine
CID 30853012
3-phenyl-1-propylpiperidine
CID 12937946

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine?
The IUPAC name of 5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine (CID 30936887) is 5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine?
The canonical SMILES for 5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine is Cc1cnc(N2CCC[C@@H](c3ccccc3)C2)nc1-c1ncnn1C.
What is the InChIKey of 5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine?
The InChIKey is GIPKEDZLEZAWAA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N6/c1-14-11-20-19(23-17(14)18-21-13-22-24(18)2)25-10-6-9-16(12-25)15-7-4-3-5-8-15/h3-5,7-8,11,13,16H,6,9-10,12H2,1-2H3/t16-/m1/s1.
What are the key properties of 5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine?
5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine has a molecular weight of 334.43 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine is sourced from PubChem (CID 30936887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).