N-tert-butyl-6-[4-(dimethylamino)anilino]-2-methylpyrimidine-4-carboxamide

C18H25N5O — CID 109373851

IUPACN-tert-butyl-6-[4-(dimethylamino)anilino]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(N(C)C)cc2)cc(C(=O)NC(C)(C)C)n1
InChIInChI=1S/C18H25N5O/c1-12-19-15(17(24)22-18(2,3)4)11-16(20-12)21-13-7-9-14(10-8-13)23(5)6/h7-11H,1-6H3,(H,22,24)(H,19,20,21)
InChIKeyVGKFGJJZHOOAGU-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.12
Rot. Bonds4

About N-tert-butyl-6-[4-(dimethylamino)anilino]-2-methylpyrimidine-4-carboxamide

N-tert-butyl-6-[4-(dimethylamino)anilino]-2-methylpyrimidine-4-carboxamide (PubChem CID 109373851) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-tert-butyl-6-[4-(dimethylamino)anilino]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-[4-(dimethylamino)anilino]-2-methylpyrimidine-4-carboxamide
PubChem CID109373851
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-tert-butyl-6-[4-(dimethylamino)anilino]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(N(C)C)cc2)cc(C(=O)NC(C)(C)C)n1
InChIInChI=1S/C18H25N5O/c1-12-19-15(17(24)22-18(2,3)4)11-16(20-12)21-13-7-9-14(10-8-13)23(5)6/h7-11H,1-6H3,(H,22,24)(H,19,20,21)
InChIKeyVGKFGJJZHOOAGU-UHFFFAOYSA-N
XLogP3.12
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
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-[4-(dimethylamino)phenyl]-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850558
6-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112850950
N-tert-butyl-6-[4-chloro-3-(trifluoromethyl)anilino]-2-methylpyrimidine-4-carboxamide
CID 109373874
N-tert-butyl-6-[4-(diethylamino)-2-methylanilino]-2-methylpyrimidine-4-carboxamide
CID 109373885
6-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371990
6-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368191
N-[4-(dimethylamino)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109360129
6-(3-chloro-2-methylanilino)-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112850200
4-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine
CID 80788888
N-tert-butyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109373828
2,3-dihydroindol-1-yl-[6-[4-(dimethylamino)anilino]-2-methylpyrimidin-4-yl]methanone
CID 112848751
6-anilino-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112847912

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-[4-(dimethylamino)anilino]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-tert-butyl-6-[4-(dimethylamino)anilino]-2-methylpyrimidine-4-carboxamide (CID 109373851) is N-tert-butyl-6-[4-(dimethylamino)anilino]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-6-[4-(dimethylamino)anilino]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-6-[4-(dimethylamino)anilino]-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2ccc(N(C)C)cc2)cc(C(=O)NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-6-[4-(dimethylamino)anilino]-2-methylpyrimidine-4-carboxamide?
The InChIKey is VGKFGJJZHOOAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-12-19-15(17(24)22-18(2,3)4)11-16(20-12)21-13-7-9-14(10-8-13)23(5)6/h7-11H,1-6H3,(H,22,24)(H,19,20,21).
What are the key properties of N-tert-butyl-6-[4-(dimethylamino)anilino]-2-methylpyrimidine-4-carboxamide?
N-tert-butyl-6-[4-(dimethylamino)anilino]-2-methylpyrimidine-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-[4-(dimethylamino)anilino]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109373851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).