2-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-amine

C16H17N5O — CID 82192539

IUPAC2-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-amine
SMILESCOc1cccc(-c2cc(C)nc(-n3nc(C)cc3N)n2)c1
InChIInChI=1S/C16H17N5O/c1-10-7-14(12-5-4-6-13(9-12)22-3)19-16(18-10)21-15(17)8-11(2)20-21/h4-9H,17H2,1-3H3
InChIKeyCVXYVXQIOKPOPF-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.54
Rot. Bonds3

About 2-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-amine

2-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-amine (PubChem CID 82192539) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-amine
PubChem CID82192539
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-amine
SMILESCOc1cccc(-c2cc(C)nc(-n3nc(C)cc3N)n2)c1
InChIInChI=1S/C16H17N5O/c1-10-7-14(12-5-4-6-13(9-12)22-3)19-16(18-10)21-15(17)8-11(2)20-21/h4-9H,17H2,1-3H3
InChIKeyCVXYVXQIOKPOPF-UHFFFAOYSA-N
XLogP2.54
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-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)-2,6-dimethylpyrimidine
CID 116897003
2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyphenyl)-6-phenylpyrimidine
CID 1070777
1-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine
CID 116896700
1-(3-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine
CID 114798653
1-(3-bromophenyl)-3-(3-methoxyphenyl)pyrazol-5-amine
CID 43542770
methyl 5-amino-1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1,2,4-triazole-3-carboxylate
CID 17253474
2-(3-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62192962
1-(4-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine
CID 4052140
N'-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine
CID 82191626
4-(3-methoxyphenyl)-6-methylpyrimidine
CID 58973518
3-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine
CID 82881440
5-(3-methoxyphenyl)-1,3-dimethylpyrazole
CID 57246578

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-amine?
The IUPAC name of 2-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-amine (CID 82192539) is 2-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-amine?
The canonical SMILES for 2-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-amine is COc1cccc(-c2cc(C)nc(-n3nc(C)cc3N)n2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-amine?
The InChIKey is CVXYVXQIOKPOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-10-7-14(12-5-4-6-13(9-12)22-3)19-16(18-10)21-15(17)8-11(2)20-21/h4-9H,17H2,1-3H3.
What are the key properties of 2-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-amine?
2-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-amine has a molecular weight of 295.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 82192539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).