N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide

C17H23N5O — CID 109344922

IUPACN-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NCCCN(C)C)ncn2)cc1
InChIInChI=1S/C17H23N5O/c1-13-5-7-14(8-6-13)21-16-11-15(19-12-20-16)17(23)18-9-4-10-22(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,18,23)(H,19,20,21)
InChIKeyQLWDFZJJJSWOQY-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.21
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide

N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109344922) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide
PubChem CID109344922
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NCCCN(C)C)ncn2)cc1
InChIInChI=1S/C17H23N5O/c1-13-5-7-14(8-6-13)21-16-11-15(19-12-20-16)17(23)18-9-4-10-22(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,18,23)(H,19,20,21)
InChIKeyQLWDFZJJJSWOQY-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]-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109344929
N-(3-methoxypropyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109343362
6-(4-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338528
6-(3-bromoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109344991
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109344684
6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344404
6-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344392
N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109154437
N-[2-(dimethylamino)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109344367
N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109344935
6-(2,5-dichloroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109345006
N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109346679

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide (CID 109344922) is N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide is Cc1ccc(Nc2cc(C(=O)NCCCN(C)C)ncn2)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is QLWDFZJJJSWOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-5-7-14(8-6-13)21-16-11-15(19-12-20-16)17(23)18-9-4-10-22(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,18,23)(H,19,20,21).
What are the key properties of N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide?
N-[3-(dimethylamino)propyl]-6-(4-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]-6-(4-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109344922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).