4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

C21H30N8O2 — CID 59648385

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 59648385) has the molecular formula C21H30N8O2 and a molecular weight of 426.53 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
• PubChem CID: 59648385
• Molecular Formula: C21H30N8O2
• Molecular Weight: 426.53 g/mol
• Exact Mass: 426.25
• IUPAC Name: 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
• SMILES: CC(C)c1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(OCCN(C)C)n2)on1
• InChI: InChI=1S/C21H30N8O2/c1-13(2)16-9-15(31-28-16)12-22-21-24-18(11-20(25-21)30-8-7-29(3)4)23-19-10-17(26-27-19)14-5-6-14/h9-11,13-14H,5-8,12H2,1-4H3,(H3,22,23,24,25,26,27)
• InChIKey: KXVVGQXTGNTGHX-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 117.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.53
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?

The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 59648385) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?

The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is CC(C)c1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(OCCN(C)C)n2)on1.

What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?

The InChIKey is KXVVGQXTGNTGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N8O2/c1-13(2)16-9-15(31-28-16)12-22-21-24-18(11-20(25-21)30-8-7-29(3)4)23-19-10-17(26-27-19)14-5-6-14/h9-11,13-14H,5-8,12H2,1-4H3,(H3,22,23,24,25,26,27).

What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 426.53 g/mol, XLogP of 3.48, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 59648385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).