N-[3-(dimethylamino)propyl]-2-(3-methylanilino)pyrimidine-4-carboxamide

C17H23N5O — CID 109301921

IUPACN-[3-(dimethylamino)propyl]-2-(3-methylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2nccc(C(=O)NCCCN(C)C)n2)c1
InChIInChI=1S/C17H23N5O/c1-13-6-4-7-14(12-13)20-17-19-10-8-15(21-17)16(23)18-9-5-11-22(2)3/h4,6-8,10,12H,5,9,11H2,1-3H3,(H,18,23)(H,19,20,21)
InChIKeyVAUUYUOQEQXVQV-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.21
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-2-(3-methylanilino)pyrimidine-4-carboxamide

N-[3-(dimethylamino)propyl]-2-(3-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109301921) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(3-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(3-methylanilino)pyrimidine-4-carboxamide
PubChem CID109301921
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN-[3-(dimethylamino)propyl]-2-(3-methylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2nccc(C(=O)NCCCN(C)C)n2)c1
InChIInChI=1S/C17H23N5O/c1-13-6-4-7-14(12-13)20-17-19-10-8-15(21-17)16(23)18-9-5-11-22(2)3/h4,6-8,10,12H,5,9,11H2,1-3H3,(H,18,23)(H,19,20,21)
InChIKeyVAUUYUOQEQXVQV-UHFFFAOYSA-N
XLogP2.21
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109301970
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109301975
N-[2-(3-chlorophenyl)ethyl]-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109313131
4-N-[3-(dimethylamino)propyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 91504160
2-(2-bromoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109301990
N-benzyl-N-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109305156
2-anilino-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313397
2-(3-fluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300300
N-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313892
N-[3-(dimethylamino)propyl]-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109301859
ethyl 2-[[4-[3-(dimethylamino)propylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109302013
2-(3-bromo-4-methylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300266

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(3-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(3-methylanilino)pyrimidine-4-carboxamide (CID 109301921) is N-[3-(dimethylamino)propyl]-2-(3-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(3-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(3-methylanilino)pyrimidine-4-carboxamide is Cc1cccc(Nc2nccc(C(=O)NCCCN(C)C)n2)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(3-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is VAUUYUOQEQXVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-6-4-7-14(12-13)20-17-19-10-8-15(21-17)16(23)18-9-5-11-22(2)3/h4,6-8,10,12H,5,9,11H2,1-3H3,(H,18,23)(H,19,20,21).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(3-methylanilino)pyrimidine-4-carboxamide?
N-[3-(dimethylamino)propyl]-2-(3-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 313.41 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(3-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109301921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).