4-N-(4-methoxyphenyl)-2-N-(1-methylpyrazol-3-yl)pyrimidine-2,4,5-triamine

C15H17N7O — CID 90389872

IUPAC4-N-(4-methoxyphenyl)-2-N-(1-methylpyrazol-3-yl)pyrimidine-2,4,5-triamine
SMILESCOc1ccc(Nc2nc(Nc3ccn(C)n3)ncc2N)cc1
InChIInChI=1S/C15H17N7O/c1-22-8-7-13(21-22)19-15-17-9-12(16)14(20-15)18-10-3-5-11(23-2)6-4-10/h3-9H,16H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyCDKPUVGITZIIBO-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.29
Rot. Bonds5

About 4-N-(4-methoxyphenyl)-2-N-(1-methylpyrazol-3-yl)pyrimidine-2,4,5-triamine

4-N-(4-methoxyphenyl)-2-N-(1-methylpyrazol-3-yl)pyrimidine-2,4,5-triamine (PubChem CID 90389872) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 4-N-(4-methoxyphenyl)-2-N-(1-methylpyrazol-3-yl)pyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name4-N-(4-methoxyphenyl)-2-N-(1-methylpyrazol-3-yl)pyrimidine-2,4,5-triamine
PubChem CID90389872
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name4-N-(4-methoxyphenyl)-2-N-(1-methylpyrazol-3-yl)pyrimidine-2,4,5-triamine
SMILESCOc1ccc(Nc2nc(Nc3ccn(C)n3)ncc2N)cc1
InChIInChI=1S/C15H17N7O/c1-22-8-7-13(21-22)19-15-17-9-12(16)14(20-15)18-10-3-5-11(23-2)6-4-10/h3-9H,16H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyCDKPUVGITZIIBO-UHFFFAOYSA-N
XLogP2.29
TPSA102.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxyphenyl)-2-N-(1-methylpyrazol-3-yl)pyrimidine-2,4,5-triamine?
The IUPAC name of 4-N-(4-methoxyphenyl)-2-N-(1-methylpyrazol-3-yl)pyrimidine-2,4,5-triamine (CID 90389872) is 4-N-(4-methoxyphenyl)-2-N-(1-methylpyrazol-3-yl)pyrimidine-2,4,5-triamine.
What is the SMILES notation for 4-N-(4-methoxyphenyl)-2-N-(1-methylpyrazol-3-yl)pyrimidine-2,4,5-triamine?
The canonical SMILES for 4-N-(4-methoxyphenyl)-2-N-(1-methylpyrazol-3-yl)pyrimidine-2,4,5-triamine is COc1ccc(Nc2nc(Nc3ccn(C)n3)ncc2N)cc1.
What is the InChIKey of 4-N-(4-methoxyphenyl)-2-N-(1-methylpyrazol-3-yl)pyrimidine-2,4,5-triamine?
The InChIKey is CDKPUVGITZIIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-22-8-7-13(21-22)19-15-17-9-12(16)14(20-15)18-10-3-5-11(23-2)6-4-10/h3-9H,16H2,1-2H3,(H2,17,18,19,20,21).
What are the key properties of 4-N-(4-methoxyphenyl)-2-N-(1-methylpyrazol-3-yl)pyrimidine-2,4,5-triamine?
4-N-(4-methoxyphenyl)-2-N-(1-methylpyrazol-3-yl)pyrimidine-2,4,5-triamine has a molecular weight of 311.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxyphenyl)-2-N-(1-methylpyrazol-3-yl)pyrimidine-2,4,5-triamine is sourced from PubChem (CID 90389872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).