carbanide;1-[4-imino-9-methyl-2-[3-(methylamino)benzene-4-id-1-yl]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;uranium(2+)

C24H32N6U — CID 163915107

About carbanide;1-[4-imino-9-methyl-2-[3-(methylamino)benzene-4-id-1-yl]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;uranium(2+)

carbanide;1-[4-imino-9-methyl-2-[3-(methylamino)benzene-4-id-1-yl]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;uranium(2+) (PubChem CID 163915107) has the molecular formula C24H32N6U and a molecular weight of 642.59 g/mol. Its IUPAC name is carbanide;1-[4-imino-9-methyl-2-[3-(methylamino)benzene-4-id-1-yl]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;uranium(2+).

Molecular Properties

• Compound Name: carbanide;1-[4-imino-9-methyl-2-[3-(methylamino)benzene-4-id-1-yl]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;uranium(2+)
• PubChem CID: 163915107
• Molecular Formula: C24H32N6U
• Molecular Weight: 642.59 g/mol
• Exact Mass: 642.32
• IUPAC Name: carbanide;1-[4-imino-9-methyl-2-[3-(methylamino)benzene-4-id-1-yl]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;uranium(2+)
• SMILES: [CH3-].[H]/N=c1\cc(-c2cc[c-]c(NC)c2)nc2c(C)cc(N3CCC(N(C)C)CC3)cn12.[U+2]
• InChI: InChI=1S/C23H29N6.CH3.U/c1-16-12-20(28-10-8-19(9-11-28)27(3)4)15-29-22(24)14-21(26-23(16)29)17-6-5-7-18(13-17)25-2;;/h5-6,12-15,19,24-25H,8-11H2,1-4H3;1H3;/q2*-1;+2/b24-22+
• InChIKey: JFAYQSVQRQXASO-WPLNXYSRSA-N
• XLogP: 3.61
• TPSA: 59.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	642.59
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;1-[4-imino-9-methyl-2-[3-(methylamino)benzene-4-id-1-yl]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;uranium(2+)?

The IUPAC name of carbanide;1-[4-imino-9-methyl-2-[3-(methylamino)benzene-4-id-1-yl]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;uranium(2+) (CID 163915107) is carbanide;1-[4-imino-9-methyl-2-[3-(methylamino)benzene-4-id-1-yl]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;uranium(2+).

What is the SMILES notation for carbanide;1-[4-imino-9-methyl-2-[3-(methylamino)benzene-4-id-1-yl]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;uranium(2+)?

The canonical SMILES for carbanide;1-[4-imino-9-methyl-2-[3-(methylamino)benzene-4-id-1-yl]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;uranium(2+) is [CH3-].[H]/N=c1\cc(-c2cc[c-]c(NC)c2)nc2c(C)cc(N3CCC(N(C)C)CC3)cn12.[U+2].

What is the InChIKey of carbanide;1-[4-imino-9-methyl-2-[3-(methylamino)benzene-4-id-1-yl]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;uranium(2+)?

The InChIKey is JFAYQSVQRQXASO-WPLNXYSRSA-N. The full InChI is InChI=1S/C23H29N6.CH3.U/c1-16-12-20(28-10-8-19(9-11-28)27(3)4)15-29-22(24)14-21(26-23(16)29)17-6-5-7-18(13-17)25-2;;/h5-6,12-15,19,24-25H,8-11H2,1-4H3;1H3;/q2*-1;+2/b24-22+;;.

What are the key properties of carbanide;1-[4-imino-9-methyl-2-[3-(methylamino)benzene-4-id-1-yl]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;uranium(2+)?

carbanide;1-[4-imino-9-methyl-2-[3-(methylamino)benzene-4-id-1-yl]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;uranium(2+) has a molecular weight of 642.59 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;1-[4-imino-9-methyl-2-[3-(methylamino)benzene-4-id-1-yl]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;uranium(2+) is sourced from PubChem (CID 163915107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).