N-[4-(dimethylamino)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide

C17H23N5O — CID 109360129

IUPACN-[4-(dimethylamino)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2ccc(N(C)C)cc2)nc(C)n1
InChIInChI=1S/C17H23N5O/c1-5-10-18-16-11-15(19-12(2)20-16)17(23)21-13-6-8-14(9-7-13)22(3)4/h6-9,11H,5,10H2,1-4H3,(H,21,23)(H,18,19,20)
InChIKeyMYKKTDYEQBSMRV-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.93
Rot. Bonds6

About N-[4-(dimethylamino)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide

N-[4-(dimethylamino)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide (PubChem CID 109360129) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
PubChem CID109360129
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN-[4-(dimethylamino)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2ccc(N(C)C)cc2)nc(C)n1
InChIInChI=1S/C17H23N5O/c1-5-10-18-16-11-15(19-12(2)20-16)17(23)21-13-6-8-14(9-7-13)22(3)4/h6-9,11H,5,10H2,1-4H3,(H,21,23)(H,18,19,20)
InChIKeyMYKKTDYEQBSMRV-UHFFFAOYSA-N
XLogP2.93
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.93
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-(diethylamino)phenyl]-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364760
2-methyl-6-(propylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109360131
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109360146
6-(butylamino)-N-(4-chlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109361659
N-(4-bromophenyl)-6-(butylamino)-2-methylpyrimidine-4-carboxamide
CID 109361668
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
6-[butyl(methyl)amino]-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112846981
6-(butylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109361683
6-[3-(dimethylamino)propylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109366614
2-methyl-6-(propylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109360086
6-[2-(dimethylamino)ethylamino]-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109366110

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide (CID 109360129) is N-[4-(dimethylamino)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide is CCCNc1cc(C(=O)Nc2ccc(N(C)C)cc2)nc(C)n1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide?
The InChIKey is MYKKTDYEQBSMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-5-10-18-16-11-15(19-12(2)20-16)17(23)21-13-6-8-14(9-7-13)22(3)4/h6-9,11H,5,10H2,1-4H3,(H,21,23)(H,18,19,20).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide?
N-[4-(dimethylamino)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide has a molecular weight of 313.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109360129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).