4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-(2-methoxyethyl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine

C24H28N10O2 — CID 11202612

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-(2-methoxyethyl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-(2-methoxyethyl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine (PubChem CID 11202612) has the molecular formula C24H28N10O2 and a molecular weight of 488.56 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-(2-methoxyethyl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine.

Molecular Properties

• Compound Name: 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-(2-methoxyethyl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine
• PubChem CID: 11202612
• Molecular Formula: C24H28N10O2
• Molecular Weight: 488.56 g/mol
• Exact Mass: 488.24
• IUPAC Name: 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-(2-methoxyethyl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine
• SMILES: COCCNc1cc(Nc2cc(C3CC3)[nH]n2)nc(N2CCC[C@H]2c2cc(-c3cnccn3)no2)n1
• InChI: InChI=1S/C24H28N10O2/c1-35-10-8-27-21-13-22(28-23-12-16(31-32-23)15-4-5-15)30-24(29-21)34-9-2-3-19(34)20-11-17(33-36-20)18-14-25-6-7-26-18/h6-7,11-15,19H,2-5,8-10H2,1H3,(H3,27,28,29,30,31,32)/t19-/m0/s1
• InChIKey: LEPPQGOTEOBCAJ-IBGZPJMESA-N
• XLogP: 3.67
• TPSA: 142.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.56
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-(2-methoxyethyl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine?

The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-(2-methoxyethyl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine (CID 11202612) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-(2-methoxyethyl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine.

What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-(2-methoxyethyl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine?

The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-(2-methoxyethyl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine is COCCNc1cc(Nc2cc(C3CC3)[nH]n2)nc(N2CCC[C@H]2c2cc(-c3cnccn3)no2)n1.

What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-(2-methoxyethyl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine?

The InChIKey is LEPPQGOTEOBCAJ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H28N10O2/c1-35-10-8-27-21-13-22(28-23-12-16(31-32-23)15-4-5-15)30-24(29-21)34-9-2-3-19(34)20-11-17(33-36-20)18-14-25-6-7-26-18/h6-7,11-15,19H,2-5,8-10H2,1H3,(H3,27,28,29,30,31,32)/t19-/m0/s1.

What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-(2-methoxyethyl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine?

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-(2-methoxyethyl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine has a molecular weight of 488.56 g/mol, XLogP of 3.67, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-(2-methoxyethyl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 11202612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).