1-[3-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]pyrimidine-2,4-dione

C17H22N6O3 — CID 56869932

About 1-[3-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]pyrimidine-2,4-dione

1-[3-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]pyrimidine-2,4-dione (PubChem CID 56869932) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-[3-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[3-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]pyrimidine-2,4-dione
• PubChem CID: 56869932
• Molecular Formula: C17H22N6O3
• Molecular Weight: 358.40 g/mol
• Exact Mass: 358.18
• IUPAC Name: 1-[3-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]pyrimidine-2,4-dione
• SMILES: Cc1nc2c(c(N(C)C)n1)CCN(C(=O)CCn1ccc(=O)[nH]c1=O)C2
• InChI: InChI=1S/C17H22N6O3/c1-11-18-13-10-23(7-4-12(13)16(19-11)21(2)3)15(25)6-9-22-8-5-14(24)20-17(22)26/h5,8H,4,6-7,9-10H2,1-3H3,(H,20,24,26)
• InChIKey: XPRKNMBSQKZMJU-UHFFFAOYSA-N
• XLogP: -0.32
• TPSA: 104.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.40
LogP ≤ 5	-0.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]pyrimidine-2,4-dione?

The IUPAC name of 1-[3-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]pyrimidine-2,4-dione (CID 56869932) is 1-[3-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-[3-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]pyrimidine-2,4-dione?

The canonical SMILES for 1-[3-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]pyrimidine-2,4-dione is Cc1nc2c(c(N(C)C)n1)CCN(C(=O)CCn1ccc(=O)[nH]c1=O)C2.

What is the InChIKey of 1-[3-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]pyrimidine-2,4-dione?

The InChIKey is XPRKNMBSQKZMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-11-18-13-10-23(7-4-12(13)16(19-11)21(2)3)15(25)6-9-22-8-5-14(24)20-17(22)26/h5,8H,4,6-7,9-10H2,1-3H3,(H,20,24,26).

What are the key properties of 1-[3-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]pyrimidine-2,4-dione?

1-[3-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]pyrimidine-2,4-dione has a molecular weight of 358.40 g/mol, XLogP of -0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]pyrimidine-2,4-dione is sourced from PubChem (CID 56869932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).