4-methoxy-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine

C13H18N6O — CID 95764298

IUPAC4-methoxy-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCCC[C@@H]2Cn2cncn2)n1
InChIInChI=1S/C13H18N6O/c1-20-12-5-6-15-13(17-12)19-7-3-2-4-11(19)8-18-10-14-9-16-18/h5-6,9-11H,2-4,7-8H2,1H3/t11-/m1/s1
InChIKeyWFVWXGSEHPPOBL-LLVKDONJSA-N
MW274.33 g/mol
LogP1.14
Rot. Bonds4

About 4-methoxy-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine

4-methoxy-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine (PubChem CID 95764298) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-methoxy-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine
PubChem CID95764298
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name4-methoxy-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCCC[C@@H]2Cn2cncn2)n1
InChIInChI=1S/C13H18N6O/c1-20-12-5-6-15-13(17-12)19-7-3-2-4-11(19)8-18-10-14-9-16-18/h5-6,9-11H,2-4,7-8H2,1H3/t11-/m1/s1
InChIKeyWFVWXGSEHPPOBL-LLVKDONJSA-N
XLogP1.14
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 95317595
2-[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]ethanamine
CID 63767242
[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 62593689
3-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 55243745
2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]methyl]ethanamine
CID 62587593
N-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62591275
4-methoxy-2-[2-(3-methylbutyl)pyrrolidin-1-yl]pyrimidine
CID 133376942
2-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924819
[1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine
CID 112638544
4-methoxy-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine
CID 167992138
1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 56799033
7-(4-methoxypyrimidin-2-yl)-1,7-diazabicyclo[4.3.1]decane
CID 167867544

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine (CID 95764298) is 4-methoxy-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine is COc1ccnc(N2CCCC[C@@H]2Cn2cncn2)n1.
What is the InChIKey of 4-methoxy-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine?
The InChIKey is WFVWXGSEHPPOBL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N6O/c1-20-12-5-6-15-13(17-12)19-7-3-2-4-11(19)8-18-10-14-9-16-18/h5-6,9-11H,2-4,7-8H2,1H3/t11-/m1/s1.
What are the key properties of 4-methoxy-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine?
4-methoxy-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine has a molecular weight of 274.33 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 95764298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).