5-chloro-2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine

C10H13ClN6O — CID 80758192

IUPAC5-chloro-2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCCc2nncn2C)n1
InChIInChI=1S/C10H13ClN6O/c1-17-6-14-16-8(17)3-4-12-9-7(11)5-13-10(15-9)18-2/h5-6H,3-4H2,1-2H3,(H,12,13,15)
InChIKeyIUFBBMFROJGOAL-UHFFFAOYSA-N
MW268.71 g/mol
LogP0.92
Rot. Bonds5

About 5-chloro-2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine

5-chloro-2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 80758192) has the molecular formula C10H13ClN6O and a molecular weight of 268.71 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID80758192
Molecular FormulaC10H13ClN6O
Molecular Weight268.71 g/mol
Exact Mass268.08
IUPAC Name5-chloro-2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCCc2nncn2C)n1
InChIInChI=1S/C10H13ClN6O/c1-17-6-14-16-8(17)3-4-12-9-7(11)5-13-10(15-9)18-2/h5-6H,3-4H2,1-2H3,(H,12,13,15)
InChIKeyIUFBBMFROJGOAL-UHFFFAOYSA-N
XLogP0.92
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.71
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol
CID 80758347
3-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 63330325
6-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine
CID 63330911
5-chloro-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 103794340
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-7H-purin-6-amine
CID 104697689
5-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-1-ol
CID 107302432
4-chloro-6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 63330777
2-chloro-6-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321679
5-chloro-N-(2-cyclobutylethyl)-2-methoxypyrimidin-4-amine
CID 115733688
5-chloro-N-[3-(2-chloroethoxy)propyl]-2-methoxypyrimidin-4-amine
CID 106306445
1-[2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid
CID 80758877
5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80757838

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine (CID 80758192) is 5-chloro-2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine is COc1ncc(Cl)c(NCCc2nncn2C)n1.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is IUFBBMFROJGOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6O/c1-17-6-14-16-8(17)3-4-12-9-7(11)5-13-10(15-9)18-2/h5-6H,3-4H2,1-2H3,(H,12,13,15).
What are the key properties of 5-chloro-2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
5-chloro-2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 268.71 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 80758192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).