2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidin-4-amine

C13H19N7 — CID 129492248

IUPAC2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidin-4-amine
SMILESCc1nc([C@H]2CCCCN2Cc2nccc(N)n2)n[nH]1
InChIInChI=1S/C13H19N7/c1-9-16-13(19-18-9)10-4-2-3-7-20(10)8-12-15-6-5-11(14)17-12/h5-6,10H,2-4,7-8H2,1H3,(H2,14,15,17)(H,16,18,19)/t10-/m1/s1
InChIKeyRTXVBCFMMAVJQH-SNVBAGLBSA-N
MW273.34 g/mol
LogP1.21
Rot. Bonds3

About 2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidin-4-amine

2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidin-4-amine (PubChem CID 129492248) has the molecular formula C13H19N7 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidin-4-amine
PubChem CID129492248
Molecular FormulaC13H19N7
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidin-4-amine
SMILESCc1nc([C@H]2CCCCN2Cc2nccc(N)n2)n[nH]1
InChIInChI=1S/C13H19N7/c1-9-16-13(19-18-9)10-4-2-3-7-20(10)8-12-15-6-5-11(14)17-12/h5-6,10H,2-4,7-8H2,1H3,(H2,14,15,17)(H,16,18,19)/t10-/m1/s1
InChIKeyRTXVBCFMMAVJQH-SNVBAGLBSA-N
XLogP1.21
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidin-4-amine with MolForge

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Related Compounds

(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine
CID 129492253
3,5-dichloro-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine
CID 129492265
(2S)-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 129492200
2-(5-methyl-1H-1,2,4-triazol-3-yl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 128969620
3-methyl-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]quinazolin-4-one
CID 129492206
4-methyl-2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
CID 154751126
3-[1-[(5-chlorofuran-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 77098303
3-[1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 74249928
4-methoxy-3-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]benzonitrile
CID 129492268
2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylmethyl)pyrimidin-4-amine
CID 114220875
3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 74232912
3-[1-[[5-(2-chlorophenyl)furan-2-yl]methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 74245671

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidin-4-amine (CID 129492248) is 2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidin-4-amine is Cc1nc([C@H]2CCCCN2Cc2nccc(N)n2)n[nH]1.
What is the InChIKey of 2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidin-4-amine?
The InChIKey is RTXVBCFMMAVJQH-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N7/c1-9-16-13(19-18-9)10-4-2-3-7-20(10)8-12-15-6-5-11(14)17-12/h5-6,10H,2-4,7-8H2,1H3,(H2,14,15,17)(H,16,18,19)/t10-/m1/s1.
What are the key properties of 2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidin-4-amine?
2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 129492248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).