4-(1H-indol-3-yl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine

C17H16N6 — CID 155517448

IUPAC4-(1H-indol-3-yl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1cnc(Nc2cnn(C)c2)nc1-c1c[nH]c2ccccc12
InChIInChI=1S/C17H16N6/c1-11-7-19-17(21-12-8-20-23(2)10-12)22-16(11)14-9-18-15-6-4-3-5-13(14)15/h3-10,18H,1-2H3,(H,19,21,22)
InChIKeyDXVVOZODYGFRKW-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.41
Rot. Bonds3

About 4-(1H-indol-3-yl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine

4-(1H-indol-3-yl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 155517448) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID155517448
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name4-(1H-indol-3-yl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1cnc(Nc2cnn(C)c2)nc1-c1c[nH]c2ccccc12
InChIInChI=1S/C17H16N6/c1-11-7-19-17(21-12-8-20-23(2)10-12)22-16(11)14-9-18-15-6-4-3-5-13(14)15/h3-10,18H,1-2H3,(H,19,21,22)
InChIKeyDXVVOZODYGFRKW-UHFFFAOYSA-N
XLogP3.41
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(1H-indol-3-yl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine (CID 155517448) is 4-(1H-indol-3-yl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1H-indol-3-yl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(1H-indol-3-yl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine is Cc1cnc(Nc2cnn(C)c2)nc1-c1c[nH]c2ccccc12.
What is the InChIKey of 4-(1H-indol-3-yl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is DXVVOZODYGFRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c1-11-7-19-17(21-12-8-20-23(2)10-12)22-16(11)14-9-18-15-6-4-3-5-13(14)15/h3-10,18H,1-2H3,(H,19,21,22).
What are the key properties of 4-(1H-indol-3-yl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
4-(1H-indol-3-yl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 304.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 155517448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).