N-[3-(dimethylamino)propyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide

C16H30N6O — CID 109325406

IUPACN-[3-(dimethylamino)propyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCCN(C)C)nc(NCCCN(C)C)n1
InChIInChI=1S/C16H30N6O/c1-13-12-14(15(23)17-8-6-10-21(2)3)20-16(19-13)18-9-7-11-22(4)5/h12H,6-11H2,1-5H3,(H,17,23)(H,18,19,20)
InChIKeyMMYKTHJHBMMCAT-UHFFFAOYSA-N
MW322.46 g/mol
LogP0.83
Rot. Bonds10

About N-[3-(dimethylamino)propyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide

N-[3-(dimethylamino)propyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide (PubChem CID 109325406) has the molecular formula C16H30N6O and a molecular weight of 322.46 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
PubChem CID109325406
Molecular FormulaC16H30N6O
Molecular Weight322.46 g/mol
Exact Mass322.25
IUPAC NameN-[3-(dimethylamino)propyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCCN(C)C)nc(NCCCN(C)C)n1
InChIInChI=1S/C16H30N6O/c1-13-12-14(15(23)17-8-6-10-21(2)3)20-16(19-13)18-9-7-11-22(4)5/h12H,6-11H2,1-5H3,(H,17,23)(H,18,19,20)
InChIKeyMMYKTHJHBMMCAT-UHFFFAOYSA-N
XLogP0.83
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-difluorophenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325553
N-[2-(3-chlorophenyl)ethyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325463
N-[3-(dimethylamino)propyl]-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109325631
2-[3-(dimethylamino)propylamino]-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109325473
2-(cyclohexylamino)-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109322624
2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109325671
N-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325499
2-[3-(dimethylamino)propylamino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109325516
methyl 2-[[2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109325521
N-(2-cyanophenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325548
N-(3-cyanophenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325549
N-butyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109320680

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide (CID 109325406) is N-[3-(dimethylamino)propyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NCCCN(C)C)nc(NCCCN(C)C)n1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide?
The InChIKey is MMYKTHJHBMMCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6O/c1-13-12-14(15(23)17-8-6-10-21(2)3)20-16(19-13)18-9-7-11-22(4)5/h12H,6-11H2,1-5H3,(H,17,23)(H,18,19,20).
What are the key properties of N-[3-(dimethylamino)propyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide?
N-[3-(dimethylamino)propyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide has a molecular weight of 322.46 g/mol, XLogP of 0.83, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109325406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).