[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone

C21H29N7O — CID 154800894

About [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone

[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone (PubChem CID 154800894) has the molecular formula C21H29N7O and a molecular weight of 395.51 g/mol. Its IUPAC name is [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone.

Molecular Properties

• Compound Name: [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
• PubChem CID: 154800894
• Molecular Formula: C21H29N7O
• Molecular Weight: 395.51 g/mol
• Exact Mass: 395.24
• IUPAC Name: [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
• SMILES: Cc1nc(C(=O)N2CCc3ccnc(N(C)C)c3C2)nc(N2CC[C@@H](N)C2)c1C
• InChI: InChI=1S/C21H29N7O/c1-13-14(2)24-18(25-19(13)27-10-7-16(22)11-27)21(29)28-9-6-15-5-8-23-20(26(3)4)17(15)12-28/h5,8,16H,6-7,9-12,22H2,1-4H3/t16-/m1/s1
• InChIKey: LNKLKVUTWIIPPW-MRXNPFEDSA-N
• XLogP: 1.29
• TPSA: 91.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.51
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?

The IUPAC name of [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone (CID 154800894) is [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone.

What is the SMILES notation for [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?

The canonical SMILES for [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone is Cc1nc(C(=O)N2CCc3ccnc(N(C)C)c3C2)nc(N2CC[C@@H](N)C2)c1C.

What is the InChIKey of [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?

The InChIKey is LNKLKVUTWIIPPW-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H29N7O/c1-13-14(2)24-18(25-19(13)27-10-7-16(22)11-27)21(29)28-9-6-15-5-8-23-20(26(3)4)17(15)12-28/h5,8,16H,6-7,9-12,22H2,1-4H3/t16-/m1/s1.

What are the key properties of [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?

[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone has a molecular weight of 395.51 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone is sourced from PubChem (CID 154800894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).