4-(2-methoxy-3-pyridinyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidin-2-amine

C19H17N7O — CID 59200724

IUPAC4-(2-methoxy-3-pyridinyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidin-2-amine
SMILESCOc1ncccc1-c1ccnc(Nc2cccc(-c3nncn3C)c2)n1
InChIInChI=1S/C19H17N7O/c1-26-12-22-25-17(26)13-5-3-6-14(11-13)23-19-21-10-8-16(24-19)15-7-4-9-20-18(15)27-2/h3-12H,1-2H3,(H,21,23,24)
InChIKeyYPVHPGRVPTWJPB-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.09
Rot. Bonds5

About 4-(2-methoxy-3-pyridinyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidin-2-amine

4-(2-methoxy-3-pyridinyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidin-2-amine (PubChem CID 59200724) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is 4-(2-methoxy-3-pyridinyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methoxy-3-pyridinyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidin-2-amine
PubChem CID59200724
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name4-(2-methoxy-3-pyridinyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidin-2-amine
SMILESCOc1ncccc1-c1ccnc(Nc2cccc(-c3nncn3C)c2)n1
InChIInChI=1S/C19H17N7O/c1-26-12-22-25-17(26)13-5-3-6-14(11-13)23-19-21-10-8-16(24-19)15-7-4-9-20-18(15)27-2/h3-12H,1-2H3,(H,21,23,24)
InChIKeyYPVHPGRVPTWJPB-UHFFFAOYSA-N
XLogP3.09
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(2-methoxy-3-pyridinyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidin-2-amine with MolForge

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Related Compounds

N-[3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 24989038
N-ethyl-3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 24989041
N-(3-methylphenyl)-4-phenylpyrimidin-2-amine
CID 20772097
N-[(2-methylpyrimidin-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 62748416
N-(3-methylbutan-2-yl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43738672
ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
CID 90795343
3,5-dimethoxy-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 39263384
4-(4-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpyrimidin-2-amine
CID 142672977
3-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrazin-2-ylmethyl)aniline
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N-(2,2-dimethylpropyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 61326180
N-(dicyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43738680
4-chloro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 43070910

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-3-pyridinyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-(2-methoxy-3-pyridinyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidin-2-amine (CID 59200724) is 4-(2-methoxy-3-pyridinyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2-methoxy-3-pyridinyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-(2-methoxy-3-pyridinyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidin-2-amine is COc1ncccc1-c1ccnc(Nc2cccc(-c3nncn3C)c2)n1.
What is the InChIKey of 4-(2-methoxy-3-pyridinyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidin-2-amine?
The InChIKey is YPVHPGRVPTWJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c1-26-12-22-25-17(26)13-5-3-6-14(11-13)23-19-21-10-8-16(24-19)15-7-4-9-20-18(15)27-2/h3-12H,1-2H3,(H,21,23,24).
What are the key properties of 4-(2-methoxy-3-pyridinyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidin-2-amine?
4-(2-methoxy-3-pyridinyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidin-2-amine has a molecular weight of 359.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-3-pyridinyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 59200724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).