5-chloro-2-methoxy-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine

C13H17ClN6O — CID 167788544

IUPAC5-chloro-2-methoxy-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine
SMILESCOc1ncc(Cl)c(N2CCCC(Cn3cncn3)C2)n1
InChIInChI=1S/C13H17ClN6O/c1-21-13-16-5-11(14)12(18-13)19-4-2-3-10(6-19)7-20-9-15-8-17-20/h5,8-10H,2-4,6-7H2,1H3
InChIKeyUQOXXXGPWBUDLE-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.65
Rot. Bonds4

About 5-chloro-2-methoxy-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine

5-chloro-2-methoxy-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine (PubChem CID 167788544) has the molecular formula C13H17ClN6O and a molecular weight of 308.77 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine
PubChem CID167788544
Molecular FormulaC13H17ClN6O
Molecular Weight308.77 g/mol
Exact Mass308.12
IUPAC Name5-chloro-2-methoxy-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine
SMILESCOc1ncc(Cl)c(N2CCCC(Cn3cncn3)C2)n1
InChIInChI=1S/C13H17ClN6O/c1-21-13-16-5-11(14)12(18-13)19-4-2-3-10(6-19)7-20-9-15-8-17-20/h5,8-10H,2-4,6-7H2,1H3
InChIKeyUQOXXXGPWBUDLE-UHFFFAOYSA-N
XLogP1.65
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dichloro-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridine
CID 124851075
5-chloro-2-methoxy-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrimidine
CID 97119023
[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]methanol
CID 80710491
4-(5-chloro-2-methoxypyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one
CID 133390902
1-(2,6-dichloro-4-nitrophenyl)-3-(1,2,4-triazol-1-ylmethyl)piperidine
CID 133454657
5-methyl-7-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 95323188
2-[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanamine
CID 80753257
1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-ol
CID 80711574
2-[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanamine
CID 137334359
5-chloro-2-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 137334881
4-chloro-8-fluoro-7-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]quinoline
CID 86969359
(4-amino-5-chloro-2-methoxyphenyl)-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119883779

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 5-chloro-2-methoxy-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine (CID 167788544) is 5-chloro-2-methoxy-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-chloro-2-methoxy-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-chloro-2-methoxy-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine is COc1ncc(Cl)c(N2CCCC(Cn3cncn3)C2)n1.
What is the InChIKey of 5-chloro-2-methoxy-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine?
The InChIKey is UQOXXXGPWBUDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6O/c1-21-13-16-5-11(14)12(18-13)19-4-2-3-10(6-19)7-20-9-15-8-17-20/h5,8-10H,2-4,6-7H2,1H3.
What are the key properties of 5-chloro-2-methoxy-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine?
5-chloro-2-methoxy-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine has a molecular weight of 308.77 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 167788544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).