4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methyl-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine

C20H21N7 — CID 86694747

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methyl-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methyl-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 86694747) has the molecular formula C20H21N7 and a molecular weight of 359.44 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methyl-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methyl-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine
• PubChem CID: 86694747
• Molecular Formula: C20H21N7
• Molecular Weight: 359.44 g/mol
• Exact Mass: 359.19
• IUPAC Name: 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methyl-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine
• SMILES: Cc1c[nH]c2cccc(CNc3nccc(Nc4cc(C5CC5)[nH]n4)n3)c12
• InChI: InChI=1S/C20H21N7/c1-12-10-22-15-4-2-3-14(19(12)15)11-23-20-21-8-7-17(25-20)24-18-9-16(26-27-18)13-5-6-13/h2-4,7-10,13,22H,5-6,11H2,1H3,(H3,21,23,24,25,26,27)
• InChIKey: TUUIPQZBWUUMJX-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 94.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.44
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methyl-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine?

The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methyl-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine (CID 86694747) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methyl-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methyl-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine?

The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methyl-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine is Cc1c[nH]c2cccc(CNc3nccc(Nc4cc(C5CC5)[nH]n4)n3)c12.

What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methyl-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine?

The InChIKey is TUUIPQZBWUUMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7/c1-12-10-22-15-4-2-3-14(19(12)15)11-23-20-21-8-7-17(25-20)24-18-9-16(26-27-18)13-5-6-13/h2-4,7-10,13,22H,5-6,11H2,1H3,(H3,21,23,24,25,26,27).

What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methyl-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine?

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methyl-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 359.44 g/mol, XLogP of 4.22, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methyl-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 86694747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).