4-(1-methylindazol-3-yl)-N-(4-methylphenyl)pyrimidin-2-amine

C19H17N5 — CID 70697457

IUPAC4-(1-methylindazol-3-yl)-N-(4-methylphenyl)pyrimidin-2-amine
SMILESCc1ccc(Nc2nccc(-c3nn(C)c4ccccc34)n2)cc1
InChIInChI=1S/C19H17N5/c1-13-7-9-14(10-8-13)21-19-20-12-11-16(22-19)18-15-5-3-4-6-17(15)24(2)23-18/h3-12H,1-2H3,(H,20,21,22)
InChIKeyMLYGJCGKKGOXOL-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.08
Rot. Bonds3

About 4-(1-methylindazol-3-yl)-N-(4-methylphenyl)pyrimidin-2-amine

4-(1-methylindazol-3-yl)-N-(4-methylphenyl)pyrimidin-2-amine (PubChem CID 70697457) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-(1-methylindazol-3-yl)-N-(4-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-methylindazol-3-yl)-N-(4-methylphenyl)pyrimidin-2-amine
PubChem CID70697457
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name4-(1-methylindazol-3-yl)-N-(4-methylphenyl)pyrimidin-2-amine
SMILESCc1ccc(Nc2nccc(-c3nn(C)c4ccccc34)n2)cc1
InChIInChI=1S/C19H17N5/c1-13-7-9-14(10-8-13)21-19-20-12-11-16(22-19)18-15-5-3-4-6-17(15)24(2)23-18/h3-12H,1-2H3,(H,20,21,22)
InChIKeyMLYGJCGKKGOXOL-UHFFFAOYSA-N
XLogP4.08
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylindazol-3-yl)-N-(4-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(1-methylindazol-3-yl)-N-(4-methylphenyl)pyrimidin-2-amine (CID 70697457) is 4-(1-methylindazol-3-yl)-N-(4-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1-methylindazol-3-yl)-N-(4-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1-methylindazol-3-yl)-N-(4-methylphenyl)pyrimidin-2-amine is Cc1ccc(Nc2nccc(-c3nn(C)c4ccccc34)n2)cc1.
What is the InChIKey of 4-(1-methylindazol-3-yl)-N-(4-methylphenyl)pyrimidin-2-amine?
The InChIKey is MLYGJCGKKGOXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-13-7-9-14(10-8-13)21-19-20-12-11-16(22-19)18-15-5-3-4-6-17(15)24(2)23-18/h3-12H,1-2H3,(H,20,21,22).
What are the key properties of 4-(1-methylindazol-3-yl)-N-(4-methylphenyl)pyrimidin-2-amine?
4-(1-methylindazol-3-yl)-N-(4-methylphenyl)pyrimidin-2-amine has a molecular weight of 315.38 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylindazol-3-yl)-N-(4-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 70697457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).