5-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine

C18H19ClN6 — CID 68602988

About 5-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine

5-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine (PubChem CID 68602988) has the molecular formula C18H19ClN6 and a molecular weight of 354.85 g/mol. Its IUPAC name is 5-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 5-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
• PubChem CID: 68602988
• Molecular Formula: C18H19ClN6
• Molecular Weight: 354.85 g/mol
• Exact Mass: 354.14
• IUPAC Name: 5-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
• SMILES: CC(Nc1ncc(Cl)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccccc1
• InChI: InChI=1S/C18H19ClN6/c1-11(12-5-3-2-4-6-12)21-18-20-10-14(19)17(23-18)22-16-9-15(24-25-16)13-7-8-13/h2-6,9-11,13H,7-8H2,1H3,(H3,20,21,22,23,24,25)
• InChIKey: HZXAMFNFTTZREO-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 78.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.85
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine?

The IUPAC name of 5-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine (CID 68602988) is 5-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 5-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine?

The canonical SMILES for 5-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine is CC(Nc1ncc(Cl)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccccc1.

What is the InChIKey of 5-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine?

The InChIKey is HZXAMFNFTTZREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6/c1-11(12-5-3-2-4-6-12)21-18-20-10-14(19)17(23-18)22-16-9-15(24-25-16)13-7-8-13/h2-6,9-11,13H,7-8H2,1H3,(H3,20,21,22,23,24,25).

What are the key properties of 5-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine?

5-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine has a molecular weight of 354.85 g/mol, XLogP of 4.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 68602988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).