2-methanimidoyl-N-methyl-3-methylimino-N'-(2-phenylimidazo[1,2-c]pyrimidin-7-yl)butanediamide

C19H19N7O2 — CID 123144940

IUPAC2-methanimidoyl-N-methyl-3-methylimino-N'-(2-phenylimidazo[1,2-c]pyrimidin-7-yl)butanediamide
SMILES[H]/N=C/C(C(=O)NC)/C(=N\C)C(=O)Nc1cc2nc(-c3ccccc3)cn2cn1
InChIInChI=1S/C19H19N7O2/c1-21-17(13(9-20)18(27)22-2)19(28)25-15-8-16-24-14(10-26(16)11-23-15)12-6-4-3-5-7-12/h3-11,13,20H,1-2H3,(H,22,27)(H,25,28)/b20-9+,21-17+
InChIKeyXWNVTFDMQDSCLV-ZPOBTFBFSA-N
MW377.41 g/mol
LogP1.42
Rot. Bonds6

About 2-methanimidoyl-N-methyl-3-methylimino-N'-(2-phenylimidazo[1,2-c]pyrimidin-7-yl)butanediamide

2-methanimidoyl-N-methyl-3-methylimino-N'-(2-phenylimidazo[1,2-c]pyrimidin-7-yl)butanediamide (PubChem CID 123144940) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 2-methanimidoyl-N-methyl-3-methylimino-N'-(2-phenylimidazo[1,2-c]pyrimidin-7-yl)butanediamide.

Molecular Properties

Compound Name2-methanimidoyl-N-methyl-3-methylimino-N'-(2-phenylimidazo[1,2-c]pyrimidin-7-yl)butanediamide
PubChem CID123144940
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name2-methanimidoyl-N-methyl-3-methylimino-N'-(2-phenylimidazo[1,2-c]pyrimidin-7-yl)butanediamide
SMILES[H]/N=C/C(C(=O)NC)/C(=N\C)C(=O)Nc1cc2nc(-c3ccccc3)cn2cn1
InChIInChI=1S/C19H19N7O2/c1-21-17(13(9-20)18(27)22-2)19(28)25-15-8-16-24-14(10-26(16)11-23-15)12-6-4-3-5-7-12/h3-11,13,20H,1-2H3,(H,22,27)(H,25,28)/b20-9+,21-17+
InChIKeyXWNVTFDMQDSCLV-ZPOBTFBFSA-N
XLogP1.42
TPSA124.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(6-cyano-3-pyridinyl)methyl]-2-methanimidoyl-3-methylimino-N'-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)butanediamide
CID 123441060
1-ethyl-5-[(2-phenylimidazo[1,2-c]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylic acid
CID 67063184
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-methanimidoyl-3-methylimino-N'-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)butanediamide
CID 123193500
N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 96571883
1-methyl-3-[6-(4-phenylphenyl)imidazo[1,2-b]pyridazin-2-yl]urea
CID 58243302
N-(3-acetamidophenyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108801394
N-methyl-4-phenylimidazole-1-carboxamide
CID 66713962
N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenylbenzamide
CID 121089744
N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenylbutanamide
CID 121028737
methyl 4-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate
CID 108801388
N-(2-acetamidoethyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108801482
N-(2-methylpropyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108788420

Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-N-methyl-3-methylimino-N'-(2-phenylimidazo[1,2-c]pyrimidin-7-yl)butanediamide?
The IUPAC name of 2-methanimidoyl-N-methyl-3-methylimino-N'-(2-phenylimidazo[1,2-c]pyrimidin-7-yl)butanediamide (CID 123144940) is 2-methanimidoyl-N-methyl-3-methylimino-N'-(2-phenylimidazo[1,2-c]pyrimidin-7-yl)butanediamide.
What is the SMILES notation for 2-methanimidoyl-N-methyl-3-methylimino-N'-(2-phenylimidazo[1,2-c]pyrimidin-7-yl)butanediamide?
The canonical SMILES for 2-methanimidoyl-N-methyl-3-methylimino-N'-(2-phenylimidazo[1,2-c]pyrimidin-7-yl)butanediamide is [H]/N=C/C(C(=O)NC)/C(=N\C)C(=O)Nc1cc2nc(-c3ccccc3)cn2cn1.
What is the InChIKey of 2-methanimidoyl-N-methyl-3-methylimino-N'-(2-phenylimidazo[1,2-c]pyrimidin-7-yl)butanediamide?
The InChIKey is XWNVTFDMQDSCLV-ZPOBTFBFSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-21-17(13(9-20)18(27)22-2)19(28)25-15-8-16-24-14(10-26(16)11-23-15)12-6-4-3-5-7-12/h3-11,13,20H,1-2H3,(H,22,27)(H,25,28)/b20-9+,21-17+.
What are the key properties of 2-methanimidoyl-N-methyl-3-methylimino-N'-(2-phenylimidazo[1,2-c]pyrimidin-7-yl)butanediamide?
2-methanimidoyl-N-methyl-3-methylimino-N'-(2-phenylimidazo[1,2-c]pyrimidin-7-yl)butanediamide has a molecular weight of 377.41 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-N-methyl-3-methylimino-N'-(2-phenylimidazo[1,2-c]pyrimidin-7-yl)butanediamide is sourced from PubChem (CID 123144940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).