4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-6-methylpyrimidin-2-amine

C16H17N5O — CID 58913567

IUPAC4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-6-methylpyrimidin-2-amine
SMILESCOc1ccc(-c2c(-c3cc(C)nc(N)n3)n[nH]c2C)cc1
InChIInChI=1S/C16H17N5O/c1-9-8-13(19-16(17)18-9)15-14(10(2)20-21-15)11-4-6-12(22-3)7-5-11/h4-8H,1-3H3,(H,20,21)(H2,17,18,19)
InChIKeyJBOQQANMUVGVIS-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.74
Rot. Bonds3

About 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-6-methylpyrimidin-2-amine

4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-6-methylpyrimidin-2-amine (PubChem CID 58913567) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-6-methylpyrimidin-2-amine
PubChem CID58913567
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-6-methylpyrimidin-2-amine
SMILESCOc1ccc(-c2c(-c3cc(C)nc(N)n3)n[nH]c2C)cc1
InChIInChI=1S/C16H17N5O/c1-9-8-13(19-16(17)18-9)15-14(10(2)20-21-15)11-4-6-12(22-3)7-5-11/h4-8H,1-3H3,(H,20,21)(H2,17,18,19)
InChIKeyJBOQQANMUVGVIS-UHFFFAOYSA-N
XLogP2.74
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-6-methylpyrimidin-2-amine (CID 58913567) is 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-6-methylpyrimidin-2-amine is COc1ccc(-c2c(-c3cc(C)nc(N)n3)n[nH]c2C)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-6-methylpyrimidin-2-amine?
The InChIKey is JBOQQANMUVGVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-9-8-13(19-16(17)18-9)15-14(10(2)20-21-15)11-4-6-12(22-3)7-5-11/h4-8H,1-3H3,(H,20,21)(H2,17,18,19).
What are the key properties of 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-6-methylpyrimidin-2-amine?
4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-6-methylpyrimidin-2-amine has a molecular weight of 295.35 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 58913567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).