4-methyl-2-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidine

C14H20N6 — CID 138038763

IUPAC4-methyl-2-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidine
SMILESCc1ccnc(C2CCN(Cc3cnnn3C)CC2)n1
InChIInChI=1S/C14H20N6/c1-11-3-6-15-14(17-11)12-4-7-20(8-5-12)10-13-9-16-18-19(13)2/h3,6,9,12H,4-5,7-8,10H2,1-2H3
InChIKeyPLGMMLPZZWAMSX-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.29
Rot. Bonds3

About 4-methyl-2-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidine

4-methyl-2-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidine (PubChem CID 138038763) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 4-methyl-2-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidine
PubChem CID138038763
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name4-methyl-2-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidine
SMILESCc1ccnc(C2CCN(Cc3cnnn3C)CC2)n1
InChIInChI=1S/C14H20N6/c1-11-3-6-15-14(17-11)12-4-7-20(8-5-12)10-13-9-16-18-19(13)2/h3,6,9,12H,4-5,7-8,10H2,1-2H3
InChIKeyPLGMMLPZZWAMSX-UHFFFAOYSA-N
XLogP1.29
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidine?
The IUPAC name of 4-methyl-2-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidine (CID 138038763) is 4-methyl-2-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidine?
The canonical SMILES for 4-methyl-2-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidine is Cc1ccnc(C2CCN(Cc3cnnn3C)CC2)n1.
What is the InChIKey of 4-methyl-2-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidine?
The InChIKey is PLGMMLPZZWAMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-11-3-6-15-14(17-11)12-4-7-20(8-5-12)10-13-9-16-18-19(13)2/h3,6,9,12H,4-5,7-8,10H2,1-2H3.
What are the key properties of 4-methyl-2-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidine?
4-methyl-2-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidine has a molecular weight of 272.36 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidine is sourced from PubChem (CID 138038763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).