N-[3-(dimethylamino)propyl]-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide

C18H25N5O — CID 109344929

IUPACN-[3-(dimethylamino)propyl]-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C)cc(Nc2cc(C(=O)NCCCN(C)C)ncn2)c1
InChIInChI=1S/C18H25N5O/c1-13-8-14(2)10-15(9-13)22-17-11-16(20-12-21-17)18(24)19-6-5-7-23(3)4/h8-12H,5-7H2,1-4H3,(H,19,24)(H,20,21,22)
InChIKeyFMOVKDZRRFCFPQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.52
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide

N-[3-(dimethylamino)propyl]-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide (PubChem CID 109344929) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
PubChem CID109344929
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[3-(dimethylamino)propyl]-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C)cc(Nc2cc(C(=O)NCCCN(C)C)ncn2)c1
InChIInChI=1S/C18H25N5O/c1-13-8-14(2)10-15(9-13)22-17-11-16(20-12-21-17)18(24)19-6-5-7-23(3)4/h8-12H,5-7H2,1-4H3,(H,19,24)(H,20,21,22)
InChIKeyFMOVKDZRRFCFPQ-UHFFFAOYSA-N
XLogP2.52
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(dimethylamino)propyl]-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109344922
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-N-[3-(dimethylamino)propyl]-4-N-(3,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112857799
6-(3,5-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340475
6-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344377
N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109344935
6-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344392
6-(2,5-dichloroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109345006
6-(3,5-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353413
N-(3-methoxypropyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109343362
N-cyclopropyl-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109339315

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide (CID 109344929) is N-[3-(dimethylamino)propyl]-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide is Cc1cc(C)cc(Nc2cc(C(=O)NCCCN(C)C)ncn2)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is FMOVKDZRRFCFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13-8-14(2)10-15(9-13)22-17-11-16(20-12-21-17)18(24)19-6-5-7-23(3)4/h8-12H,5-7H2,1-4H3,(H,19,24)(H,20,21,22).
What are the key properties of N-[3-(dimethylamino)propyl]-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide?
N-[3-(dimethylamino)propyl]-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.52, 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-(3,5-dimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109344929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).