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

C23H34N8O3 — CID 145495852

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

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-morpholin-4-ylethoxy)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 145495852) has the molecular formula C23H34N8O3 and a molecular weight of 470.58 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-morpholin-4-ylethoxy)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-morpholin-4-ylethoxy)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
• PubChem CID: 145495852
• Molecular Formula: C23H34N8O3
• Molecular Weight: 470.58 g/mol
• Exact Mass: 470.28
• IUPAC Name: 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-morpholin-4-ylethoxy)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
• SMILES: CC(C)C1C=C(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(OCCN3CCOCC3)n2)ON1
• InChI: InChI=1S/C23H34N8O3/c1-15(2)18-11-17(34-30-18)14-24-23-26-20(25-21-12-19(28-29-21)16-3-4-16)13-22(27-23)33-10-7-31-5-8-32-9-6-31/h11-13,15-16,18,30H,3-10,14H2,1-2H3,(H3,24,25,26,27,28,29)
• InChIKey: AQSDITNYRSPWKA-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 121.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.58
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-morpholin-4-ylethoxy)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 145495852) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-morpholin-4-ylethoxy)-2-N-[(3-propan-2-yl-2,3-dihydro-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-morpholin-4-ylethoxy)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?

The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-morpholin-4-ylethoxy)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is CC(C)C1C=C(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(OCCN3CCOCC3)n2)ON1.

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

The InChIKey is AQSDITNYRSPWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N8O3/c1-15(2)18-11-17(34-30-18)14-24-23-26-20(25-21-12-19(28-29-21)16-3-4-16)13-22(27-23)33-10-7-31-5-8-32-9-6-31/h11-13,15-16,18,30H,3-10,14H2,1-2H3,(H3,24,25,26,27,28,29).

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

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-morpholin-4-ylethoxy)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 470.58 g/mol, XLogP of 2.39, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-morpholin-4-ylethoxy)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 145495852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).