6-(dipropylamino)-2-methyl-N-pentylpyrimidine-4-carboxamide

C17H30N4O — CID 112846812

IUPAC6-(dipropylamino)-2-methyl-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(N(CCC)CCC)nc(C)n1
InChIInChI=1S/C17H30N4O/c1-5-8-9-10-18-17(22)15-13-16(20-14(4)19-15)21(11-6-2)12-7-3/h13H,5-12H2,1-4H3,(H,18,22)
InChIKeyZXTFZGDNYBXVRY-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.33
Rot. Bonds10

About 6-(dipropylamino)-2-methyl-N-pentylpyrimidine-4-carboxamide

6-(dipropylamino)-2-methyl-N-pentylpyrimidine-4-carboxamide (PubChem CID 112846812) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 6-(dipropylamino)-2-methyl-N-pentylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(dipropylamino)-2-methyl-N-pentylpyrimidine-4-carboxamide
PubChem CID112846812
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name6-(dipropylamino)-2-methyl-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(N(CCC)CCC)nc(C)n1
InChIInChI=1S/C17H30N4O/c1-5-8-9-10-18-17(22)15-13-16(20-14(4)19-15)21(11-6-2)12-7-3/h13H,5-12H2,1-4H3,(H,18,22)
InChIKeyZXTFZGDNYBXVRY-UHFFFAOYSA-N
XLogP3.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[benzyl(ethyl)amino]-N-butyl-2-methylpyrimidine-4-carboxamide
CID 109361770
6-[3-(dimethylamino)propylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 109366606
N-(4-bromophenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide
CID 112847506
2-methyl-N-pentyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362764
6-(dipropylamino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847511
6-[benzyl(ethyl)amino]-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360211
N-(2,3-dimethylphenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide
CID 112847488
6-(dipropylamino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369267
N-[3-(dimethylamino)propyl]-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109366778
6-(dipropylamino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112847480
6-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371833
6-(2-bromo-4-methylanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846884

Frequently Asked Questions

What is the IUPAC name of 6-(dipropylamino)-2-methyl-N-pentylpyrimidine-4-carboxamide?
The IUPAC name of 6-(dipropylamino)-2-methyl-N-pentylpyrimidine-4-carboxamide (CID 112846812) is 6-(dipropylamino)-2-methyl-N-pentylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(dipropylamino)-2-methyl-N-pentylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(dipropylamino)-2-methyl-N-pentylpyrimidine-4-carboxamide is CCCCCNC(=O)c1cc(N(CCC)CCC)nc(C)n1.
What is the InChIKey of 6-(dipropylamino)-2-methyl-N-pentylpyrimidine-4-carboxamide?
The InChIKey is ZXTFZGDNYBXVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-5-8-9-10-18-17(22)15-13-16(20-14(4)19-15)21(11-6-2)12-7-3/h13H,5-12H2,1-4H3,(H,18,22).
What are the key properties of 6-(dipropylamino)-2-methyl-N-pentylpyrimidine-4-carboxamide?
6-(dipropylamino)-2-methyl-N-pentylpyrimidine-4-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 3.33, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dipropylamino)-2-methyl-N-pentylpyrimidine-4-carboxamide is sourced from PubChem (CID 112846812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).