6-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-4-amine

C15H16N6O — CID 50969096

IUPAC6-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-4-amine
SMILESCOc1cc(NC(C)c2ccc(-n3cncn3)cc2)ncn1
InChIInChI=1S/C15H16N6O/c1-11(20-14-7-15(22-2)18-9-17-14)12-3-5-13(6-4-12)21-10-16-8-19-21/h3-11H,1-2H3,(H,17,18,20)
InChIKeyMNVKZJVSPYAOTR-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.24
Rot. Bonds5

About 6-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-4-amine

6-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-4-amine (PubChem CID 50969096) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 6-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-4-amine
PubChem CID50969096
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name6-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-4-amine
SMILESCOc1cc(NC(C)c2ccc(-n3cncn3)cc2)ncn1
InChIInChI=1S/C15H16N6O/c1-11(20-14-7-15(22-2)18-9-17-14)12-3-5-13(6-4-12)21-10-16-8-19-21/h3-11H,1-2H3,(H,17,18,20)
InChIKeyMNVKZJVSPYAOTR-UHFFFAOYSA-N
XLogP2.24
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-2-amine
CID 97088603
5-chloro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-2-amine
CID 97088604
3,5-dimethoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 7582937
N-propan-2-yl-4-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]pyridine-2-carboxamide
CID 95708356
6-butoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 82453620
3-(3,5-dimethoxyphenyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 51232193
N-[1-(4-methylphenyl)ethyl]-6-propoxypyrimidin-4-amine
CID 66328207
5-fluoro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine
CID 97129414
N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 60590010
3-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 17494838
N-[(2-methoxyphenyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 60590081
[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azanium
CID 7128983

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-4-amine (CID 50969096) is 6-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-4-amine is COc1cc(NC(C)c2ccc(-n3cncn3)cc2)ncn1.
What is the InChIKey of 6-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-4-amine?
The InChIKey is MNVKZJVSPYAOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-11(20-14-7-15(22-2)18-9-17-14)12-3-5-13(6-4-12)21-10-16-8-19-21/h3-11H,1-2H3,(H,17,18,20).
What are the key properties of 6-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-4-amine?
6-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-4-amine has a molecular weight of 296.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 50969096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).