(6S,8R)-8-methyl-4-oxo-8-(propan-2-ylamino)-3-(propylamino)-6,7-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid

C15H24N4O3 — CID 90899302

About (6S,8R)-8-methyl-4-oxo-8-(propan-2-ylamino)-3-(propylamino)-6,7-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid

(6S,8R)-8-methyl-4-oxo-8-(propan-2-ylamino)-3-(propylamino)-6,7-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid (PubChem CID 90899302) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (6S,8R)-8-methyl-4-oxo-8-(propan-2-ylamino)-3-(propylamino)-6,7-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

• Compound Name: (6S,8R)-8-methyl-4-oxo-8-(propan-2-ylamino)-3-(propylamino)-6,7-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid
• PubChem CID: 90899302
• Molecular Formula: C15H24N4O3
• Molecular Weight: 308.38 g/mol
• Exact Mass: 308.18
• IUPAC Name: (6S,8R)-8-methyl-4-oxo-8-(propan-2-ylamino)-3-(propylamino)-6,7-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid
• SMILES: CCCNc1cnc2n(c1=O)[C@H](C(=O)O)C[C@@]2(C)NC(C)C
• InChI: InChI=1S/C15H24N4O3/c1-5-6-16-10-8-17-14-15(4,18-9(2)3)7-11(13(21)22)19(14)12(10)20/h8-9,11,16,18H,5-7H2,1-4H3,(H,21,22)/t11-,15+/m0/s1
• InChIKey: VRXYDCWGSIMJJX-XHDPSFHLSA-N
• XLogP: 1.31
• TPSA: 96.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	308.38
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6S,8R)-8-methyl-4-oxo-8-(propan-2-ylamino)-3-(propylamino)-6,7-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid?

The IUPAC name of (6S,8R)-8-methyl-4-oxo-8-(propan-2-ylamino)-3-(propylamino)-6,7-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid (CID 90899302) is (6S,8R)-8-methyl-4-oxo-8-(propan-2-ylamino)-3-(propylamino)-6,7-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid.

What is the SMILES notation for (6S,8R)-8-methyl-4-oxo-8-(propan-2-ylamino)-3-(propylamino)-6,7-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid?

The canonical SMILES for (6S,8R)-8-methyl-4-oxo-8-(propan-2-ylamino)-3-(propylamino)-6,7-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid is CCCNc1cnc2n(c1=O)[C@H](C(=O)O)C[C@@]2(C)NC(C)C.

What is the InChIKey of (6S,8R)-8-methyl-4-oxo-8-(propan-2-ylamino)-3-(propylamino)-6,7-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid?

The InChIKey is VRXYDCWGSIMJJX-XHDPSFHLSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-5-6-16-10-8-17-14-15(4,18-9(2)3)7-11(13(21)22)19(14)12(10)20/h8-9,11,16,18H,5-7H2,1-4H3,(H,21,22)/t11-,15+/m0/s1.

What are the key properties of (6S,8R)-8-methyl-4-oxo-8-(propan-2-ylamino)-3-(propylamino)-6,7-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid?

(6S,8R)-8-methyl-4-oxo-8-(propan-2-ylamino)-3-(propylamino)-6,7-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 308.38 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6S,8R)-8-methyl-4-oxo-8-(propan-2-ylamino)-3-(propylamino)-6,7-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 90899302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).