3-(3-cyclopropylphenyl)-5-[1-[[4-(3-methyl-2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]cyclopropyl]imidazole-4-carbonitrile

C27H30N8O — CID 138542693

About 3-(3-cyclopropylphenyl)-5-[1-[[4-(3-methyl-2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]cyclopropyl]imidazole-4-carbonitrile

3-(3-cyclopropylphenyl)-5-[1-[[4-(3-methyl-2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]cyclopropyl]imidazole-4-carbonitrile (PubChem CID 138542693) has the molecular formula C27H30N8O and a molecular weight of 482.59 g/mol. Its IUPAC name is 3-(3-cyclopropylphenyl)-5-[1-[[4-(3-methyl-2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]cyclopropyl]imidazole-4-carbonitrile.

Molecular Properties

• Compound Name: 3-(3-cyclopropylphenyl)-5-[1-[[4-(3-methyl-2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]cyclopropyl]imidazole-4-carbonitrile
• PubChem CID: 138542693
• Molecular Formula: C27H30N8O
• Molecular Weight: 482.59 g/mol
• Exact Mass: 482.25
• IUPAC Name: 3-(3-cyclopropylphenyl)-5-[1-[[4-(3-methyl-2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]cyclopropyl]imidazole-4-carbonitrile
• SMILES: CC(C)C1CN(C)C(=O)N1c1ccnc(NC2(c3ncn(-c4cccc(C5CC5)c4)c3C#N)CC2)n1
• InChI: InChI=1S/C27H30N8O/c1-17(2)22-15-33(3)26(36)35(22)23-9-12-29-25(31-23)32-27(10-11-27)24-21(14-28)34(16-30-24)20-6-4-5-19(13-20)18-7-8-18/h4-6,9,12-13,16-18,22H,7-8,10-11,15H2,1-3H3,(H,29,31,32)
• InChIKey: NXRXCDWOSBZMPM-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 102.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.59
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropylphenyl)-5-[1-[[4-(3-methyl-2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]cyclopropyl]imidazole-4-carbonitrile?

The IUPAC name of 3-(3-cyclopropylphenyl)-5-[1-[[4-(3-methyl-2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]cyclopropyl]imidazole-4-carbonitrile (CID 138542693) is 3-(3-cyclopropylphenyl)-5-[1-[[4-(3-methyl-2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]cyclopropyl]imidazole-4-carbonitrile.

What is the SMILES notation for 3-(3-cyclopropylphenyl)-5-[1-[[4-(3-methyl-2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]cyclopropyl]imidazole-4-carbonitrile?

The canonical SMILES for 3-(3-cyclopropylphenyl)-5-[1-[[4-(3-methyl-2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]cyclopropyl]imidazole-4-carbonitrile is CC(C)C1CN(C)C(=O)N1c1ccnc(NC2(c3ncn(-c4cccc(C5CC5)c4)c3C#N)CC2)n1.

What is the InChIKey of 3-(3-cyclopropylphenyl)-5-[1-[[4-(3-methyl-2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]cyclopropyl]imidazole-4-carbonitrile?

The InChIKey is NXRXCDWOSBZMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O/c1-17(2)22-15-33(3)26(36)35(22)23-9-12-29-25(31-23)32-27(10-11-27)24-21(14-28)34(16-30-24)20-6-4-5-19(13-20)18-7-8-18/h4-6,9,12-13,16-18,22H,7-8,10-11,15H2,1-3H3,(H,29,31,32).

What are the key properties of 3-(3-cyclopropylphenyl)-5-[1-[[4-(3-methyl-2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]cyclopropyl]imidazole-4-carbonitrile?

3-(3-cyclopropylphenyl)-5-[1-[[4-(3-methyl-2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]cyclopropyl]imidazole-4-carbonitrile has a molecular weight of 482.59 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-cyclopropylphenyl)-5-[1-[[4-(3-methyl-2-oxo-5-propan-2-ylimidazolidin-1-yl)pyrimidin-2-yl]amino]cyclopropyl]imidazole-4-carbonitrile is sourced from PubChem (CID 138542693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).