(5R,7R)-4-(diethylamino)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol;2-(4-methylphenyl)-3-(propan-2-ylamino)propanamide

C25H39N5O2 — CID 164976828

About (5R,7R)-4-(diethylamino)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol;2-(4-methylphenyl)-3-(propan-2-ylamino)propanamide

(5R,7R)-4-(diethylamino)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol;2-(4-methylphenyl)-3-(propan-2-ylamino)propanamide (PubChem CID 164976828) has the molecular formula C25H39N5O2 and a molecular weight of 441.62 g/mol. Its IUPAC name is (5R,7R)-4-(diethylamino)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol;2-(4-methylphenyl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

• Compound Name: (5R,7R)-4-(diethylamino)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol;2-(4-methylphenyl)-3-(propan-2-ylamino)propanamide
• PubChem CID: 164976828
• Molecular Formula: C25H39N5O2
• Molecular Weight: 441.62 g/mol
• Exact Mass: 441.31
• IUPAC Name: (5R,7R)-4-(diethylamino)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol;2-(4-methylphenyl)-3-(propan-2-ylamino)propanamide
• SMILES: CCN(CC)c1ncnc2c1[C@H](C)C[C@H]2O.Cc1ccc(C(CNC(C)C)C(N)=O)cc1
• InChI: InChI=1S/C13H20N2O.C12H19N3O/c1-9(2)15-8-12(13(14)16)11-6-4-10(3)5-7-11;1-4-15(5-2)12-10-8(3)6-9(16)11(10)13-7-14-12/h4-7,9,12,15H,8H2,1-3H3,(H2,14,16);7-9,16H,4-6H2,1-3H3/t;8-,9-/m.1/s1
• InChIKey: DXGVKUADVCWBLX-LNKMSKNTSA-N
• XLogP: 3.43
• TPSA: 104.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.62
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5R,7R)-4-(diethylamino)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol;2-(4-methylphenyl)-3-(propan-2-ylamino)propanamide?

The IUPAC name of (5R,7R)-4-(diethylamino)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol;2-(4-methylphenyl)-3-(propan-2-ylamino)propanamide (CID 164976828) is (5R,7R)-4-(diethylamino)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol;2-(4-methylphenyl)-3-(propan-2-ylamino)propanamide.

What is the SMILES notation for (5R,7R)-4-(diethylamino)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol;2-(4-methylphenyl)-3-(propan-2-ylamino)propanamide?

The canonical SMILES for (5R,7R)-4-(diethylamino)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol;2-(4-methylphenyl)-3-(propan-2-ylamino)propanamide is CCN(CC)c1ncnc2c1[C@H](C)C[C@H]2O.Cc1ccc(C(CNC(C)C)C(N)=O)cc1.

What is the InChIKey of (5R,7R)-4-(diethylamino)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol;2-(4-methylphenyl)-3-(propan-2-ylamino)propanamide?

The InChIKey is DXGVKUADVCWBLX-LNKMSKNTSA-N. The full InChI is InChI=1S/C13H20N2O.C12H19N3O/c1-9(2)15-8-12(13(14)16)11-6-4-10(3)5-7-11;1-4-15(5-2)12-10-8(3)6-9(16)11(10)13-7-14-12/h4-7,9,12,15H,8H2,1-3H3,(H2,14,16);7-9,16H,4-6H2,1-3H3/t;8-,9-/m.1/s1.

What are the key properties of (5R,7R)-4-(diethylamino)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol;2-(4-methylphenyl)-3-(propan-2-ylamino)propanamide?

(5R,7R)-4-(diethylamino)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol;2-(4-methylphenyl)-3-(propan-2-ylamino)propanamide has a molecular weight of 441.62 g/mol, XLogP of 3.43, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,7R)-4-(diethylamino)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol;2-(4-methylphenyl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 164976828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).