N-butyl-6-[4-(dimethylamino)anilino]-N-methylpyrimidine-4-carboxamide

C18H25N5O — CID 109354803

IUPACN-butyl-6-[4-(dimethylamino)anilino]-N-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(Nc2ccc(N(C)C)cc2)ncn1
InChIInChI=1S/C18H25N5O/c1-5-6-11-23(4)18(24)16-12-17(20-13-19-16)21-14-7-9-15(10-8-14)22(2)3/h7-10,12-13H,5-6,11H2,1-4H3,(H,19,20,21)
InChIKeyMEEXZDUUMJIWQC-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.16
Rot. Bonds7

About N-butyl-6-[4-(dimethylamino)anilino]-N-methylpyrimidine-4-carboxamide

N-butyl-6-[4-(dimethylamino)anilino]-N-methylpyrimidine-4-carboxamide (PubChem CID 109354803) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-butyl-6-[4-(dimethylamino)anilino]-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-6-[4-(dimethylamino)anilino]-N-methylpyrimidine-4-carboxamide
PubChem CID109354803
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-butyl-6-[4-(dimethylamino)anilino]-N-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(Nc2ccc(N(C)C)cc2)ncn1
InChIInChI=1S/C18H25N5O/c1-5-6-11-23(4)18(24)16-12-17(20-13-19-16)21-14-7-9-15(10-8-14)22(2)3/h7-10,12-13H,5-6,11H2,1-4H3,(H,19,20,21)
InChIKeyMEEXZDUUMJIWQC-UHFFFAOYSA-N
XLogP3.16
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-butyl-6-(4-ethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109354756
N-butyl-6-(3,4-dimethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109354751
N-butyl-2-[4-(dimethylamino)anilino]-N-methylpyridine-4-carboxamide
CID 109175537
N-butyl-6-(3,4-dimethoxyanilino)-N-methylpyrimidine-4-carboxamide
CID 109354790
6-[4-(diethylamino)anilino]-N,N-dipropylpyrimidine-4-carboxamide
CID 109355395
N-butyl-6-(2,5-dimethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109354750
6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109355343
N-butyl-6-[4-(diethylamino)anilino]-N,2-dimethylpyrimidine-4-carboxamide
CID 112847090
6-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354367
N-butyl-6-(dipropylamino)-N-methylpyrimidine-4-carboxamide
CID 109354737
N-butyl-6-(4-fluoroanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847053
N-butyl-6-[2-(4-chlorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
CID 109352334

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-[4-(dimethylamino)anilino]-N-methylpyrimidine-4-carboxamide?
The IUPAC name of N-butyl-6-[4-(dimethylamino)anilino]-N-methylpyrimidine-4-carboxamide (CID 109354803) is N-butyl-6-[4-(dimethylamino)anilino]-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-6-[4-(dimethylamino)anilino]-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-6-[4-(dimethylamino)anilino]-N-methylpyrimidine-4-carboxamide is CCCCN(C)C(=O)c1cc(Nc2ccc(N(C)C)cc2)ncn1.
What is the InChIKey of N-butyl-6-[4-(dimethylamino)anilino]-N-methylpyrimidine-4-carboxamide?
The InChIKey is MEEXZDUUMJIWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-5-6-11-23(4)18(24)16-12-17(20-13-19-16)21-14-7-9-15(10-8-14)22(2)3/h7-10,12-13H,5-6,11H2,1-4H3,(H,19,20,21).
What are the key properties of N-butyl-6-[4-(dimethylamino)anilino]-N-methylpyrimidine-4-carboxamide?
N-butyl-6-[4-(dimethylamino)anilino]-N-methylpyrimidine-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-[4-(dimethylamino)anilino]-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109354803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).