5-methoxy-4-(2-methylpyrazol-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine

C19H19N7O — CID 31193574

IUPAC5-methoxy-4-(2-methylpyrazol-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine
SMILESCOc1cnc(NCc2ccc(-n3cccn3)cc2)nc1-c1ccnn1C
InChIInChI=1S/C19H19N7O/c1-25-16(8-10-22-25)18-17(27-2)13-21-19(24-18)20-12-14-4-6-15(7-5-14)26-11-3-9-23-26/h3-11,13H,12H2,1-2H3,(H,20,21,24)
InChIKeyJOMDDRQKSSNRNI-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.68
Rot. Bonds6

About 5-methoxy-4-(2-methylpyrazol-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine

5-methoxy-4-(2-methylpyrazol-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine (PubChem CID 31193574) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-methoxy-4-(2-methylpyrazol-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methoxy-4-(2-methylpyrazol-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine
PubChem CID31193574
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name5-methoxy-4-(2-methylpyrazol-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine
SMILESCOc1cnc(NCc2ccc(-n3cccn3)cc2)nc1-c1ccnn1C
InChIInChI=1S/C19H19N7O/c1-25-16(8-10-22-25)18-17(27-2)13-21-19(24-18)20-12-14-4-6-15(7-5-14)26-11-3-9-23-26/h3-11,13H,12H2,1-2H3,(H,20,21,24)
InChIKeyJOMDDRQKSSNRNI-UHFFFAOYSA-N
XLogP2.68
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(2-methylpyrazol-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-methoxy-4-(2-methylpyrazol-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine (CID 31193574) is 5-methoxy-4-(2-methylpyrazol-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-methoxy-4-(2-methylpyrazol-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-methoxy-4-(2-methylpyrazol-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine is COc1cnc(NCc2ccc(-n3cccn3)cc2)nc1-c1ccnn1C.
What is the InChIKey of 5-methoxy-4-(2-methylpyrazol-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine?
The InChIKey is JOMDDRQKSSNRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-25-16(8-10-22-25)18-17(27-2)13-21-19(24-18)20-12-14-4-6-15(7-5-14)26-11-3-9-23-26/h3-11,13H,12H2,1-2H3,(H,20,21,24).
What are the key properties of 5-methoxy-4-(2-methylpyrazol-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine?
5-methoxy-4-(2-methylpyrazol-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine has a molecular weight of 361.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(2-methylpyrazol-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 31193574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).