N-(4-methoxyphenyl)-4-[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]pyrimidin-2-amine

C20H18N6O — CID 69428574

IUPACN-(4-methoxyphenyl)-4-[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]pyrimidin-2-amine
SMILESCOc1ccc(Nc2nccc(-c3cccc(Cc4ncn[nH]4)c3)n2)cc1
InChIInChI=1S/C20H18N6O/c1-27-17-7-5-16(6-8-17)24-20-21-10-9-18(25-20)15-4-2-3-14(11-15)12-19-22-13-23-26-19/h2-11,13H,12H2,1H3,(H,21,24,25)(H,22,23,26)
InChIKeyKINZLQGNVXQAOI-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.60
Rot. Bonds6

About N-(4-methoxyphenyl)-4-[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]pyrimidin-2-amine

N-(4-methoxyphenyl)-4-[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]pyrimidin-2-amine (PubChem CID 69428574) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]pyrimidin-2-amine
PubChem CID69428574
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC NameN-(4-methoxyphenyl)-4-[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]pyrimidin-2-amine
SMILESCOc1ccc(Nc2nccc(-c3cccc(Cc4ncn[nH]4)c3)n2)cc1
InChIInChI=1S/C20H18N6O/c1-27-17-7-5-16(6-8-17)24-20-21-10-9-18(25-20)15-4-2-3-14(11-15)12-19-22-13-23-26-19/h2-11,13H,12H2,1H3,(H,21,24,25)(H,22,23,26)
InChIKeyKINZLQGNVXQAOI-UHFFFAOYSA-N
XLogP3.60
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-methoxyphenyl)-4-[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 71655715
N-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)pyrimidin-2-amine
CID 66493776
N-(4-methoxyphenyl)-4-(1-methylpyridin-1-ium-4-yl)pyrimidin-2-amine iodide
CID 14722187
5-[3-(fluoromethyl)phenyl]-N-(4-methoxyphenyl)-1H-1,2,4-triazol-3-amine
CID 118135330
4-methoxy-N-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 164625490
N-(4-methoxyphenyl)-4-(4-methyl-7-phenyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-amine
CID 66499108
4-(1-benzyl-3-methylpyrazol-4-yl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 10292620
N-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidin-2-amine
CID 14346981
4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11667571
4-N-(4-methoxyphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895302
4-[4-(2-aminophenoxy)phenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 134155081
N-(3-methoxyphenyl)-4-thiophen-3-ylpyrimidin-2-amine
CID 14347056

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-4-[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]pyrimidin-2-amine (CID 69428574) is N-(4-methoxyphenyl)-4-[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-4-[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]pyrimidin-2-amine is COc1ccc(Nc2nccc(-c3cccc(Cc4ncn[nH]4)c3)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]pyrimidin-2-amine?
The InChIKey is KINZLQGNVXQAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-27-17-7-5-16(6-8-17)24-20-21-10-9-18(25-20)15-4-2-3-14(11-15)12-19-22-13-23-26-19/h2-11,13H,12H2,1H3,(H,21,24,25)(H,22,23,26).
What are the key properties of N-(4-methoxyphenyl)-4-[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]pyrimidin-2-amine?
N-(4-methoxyphenyl)-4-[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]pyrimidin-2-amine has a molecular weight of 358.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 69428574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).