2,6-bis(dimethylamino)-N-[[4-(dimethylamino)phenyl]methylideneamino]pyrimidine-4-carboxamide

C18H25N7O — CID 3659408

IUPAC2,6-bis(dimethylamino)-N-[[4-(dimethylamino)phenyl]methylideneamino]pyrimidine-4-carboxamide
SMILESCN(C)c1ccc(C=NNC(=O)c2cc(N(C)C)nc(N(C)C)n2)cc1
InChIInChI=1S/C18H25N7O/c1-23(2)14-9-7-13(8-10-14)12-19-22-17(26)15-11-16(24(3)4)21-18(20-15)25(5)6/h7-12H,1-6H3,(H,22,26)
InChIKeyGJPBIHHDUGCOGT-UHFFFAOYSA-N
MW355.45 g/mol
LogP1.44
Rot. Bonds6

About 2,6-bis(dimethylamino)-N-[[4-(dimethylamino)phenyl]methylideneamino]pyrimidine-4-carboxamide

2,6-bis(dimethylamino)-N-[[4-(dimethylamino)phenyl]methylideneamino]pyrimidine-4-carboxamide (PubChem CID 3659408) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is 2,6-bis(dimethylamino)-N-[[4-(dimethylamino)phenyl]methylideneamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2,6-bis(dimethylamino)-N-[[4-(dimethylamino)phenyl]methylideneamino]pyrimidine-4-carboxamide
PubChem CID3659408
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name2,6-bis(dimethylamino)-N-[[4-(dimethylamino)phenyl]methylideneamino]pyrimidine-4-carboxamide
SMILESCN(C)c1ccc(C=NNC(=O)c2cc(N(C)C)nc(N(C)C)n2)cc1
InChIInChI=1S/C18H25N7O/c1-23(2)14-9-7-13(8-10-14)12-19-22-17(26)15-11-16(24(3)4)21-18(20-15)25(5)6/h7-12H,1-6H3,(H,22,26)
InChIKeyGJPBIHHDUGCOGT-UHFFFAOYSA-N
XLogP1.44
TPSA76.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide
CID 2776651
5-tert-butyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide
CID 5412739
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
5-cyclopropyl-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide
CID 5412764
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide;hydrate
CID 21230438
4,6-bis(dimethylamino)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1,3,5-triazine-2-carboxamide
CID 136715580
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-hydroxy-3,5-diiodobenzamide
CID 13443213
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6868994
4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 5340804
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-hydroxy-3,5-di(125I)iodo(125I2)benzamide
CID 13443214
2-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-3-carboxamide
CID 4592443
4-bromo-N-[[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-5-carboxamide
CID 835569

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(dimethylamino)-N-[[4-(dimethylamino)phenyl]methylideneamino]pyrimidine-4-carboxamide?
The IUPAC name of 2,6-bis(dimethylamino)-N-[[4-(dimethylamino)phenyl]methylideneamino]pyrimidine-4-carboxamide (CID 3659408) is 2,6-bis(dimethylamino)-N-[[4-(dimethylamino)phenyl]methylideneamino]pyrimidine-4-carboxamide.
What is the SMILES notation for 2,6-bis(dimethylamino)-N-[[4-(dimethylamino)phenyl]methylideneamino]pyrimidine-4-carboxamide?
The canonical SMILES for 2,6-bis(dimethylamino)-N-[[4-(dimethylamino)phenyl]methylideneamino]pyrimidine-4-carboxamide is CN(C)c1ccc(C=NNC(=O)c2cc(N(C)C)nc(N(C)C)n2)cc1.
What is the InChIKey of 2,6-bis(dimethylamino)-N-[[4-(dimethylamino)phenyl]methylideneamino]pyrimidine-4-carboxamide?
The InChIKey is GJPBIHHDUGCOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-23(2)14-9-7-13(8-10-14)12-19-22-17(26)15-11-16(24(3)4)21-18(20-15)25(5)6/h7-12H,1-6H3,(H,22,26).
What are the key properties of 2,6-bis(dimethylamino)-N-[[4-(dimethylamino)phenyl]methylideneamino]pyrimidine-4-carboxamide?
2,6-bis(dimethylamino)-N-[[4-(dimethylamino)phenyl]methylideneamino]pyrimidine-4-carboxamide has a molecular weight of 355.45 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(dimethylamino)-N-[[4-(dimethylamino)phenyl]methylideneamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 3659408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).