6-[3-(dimethylamino)propylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide

C16H29N5O — CID 109366606

IUPAC6-[3-(dimethylamino)propylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(NCCCN(C)C)nc(C)n1
InChIInChI=1S/C16H29N5O/c1-5-6-7-9-18-16(22)14-12-15(20-13(2)19-14)17-10-8-11-21(3)4/h12H,5-11H2,1-4H3,(H,18,22)(H,17,19,20)
InChIKeyKZPXFZWNCROKPF-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.07
Rot. Bonds10

About 6-[3-(dimethylamino)propylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide

6-[3-(dimethylamino)propylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide (PubChem CID 109366606) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[3-(dimethylamino)propylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide
PubChem CID109366606
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC Name6-[3-(dimethylamino)propylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(NCCCN(C)C)nc(C)n1
InChIInChI=1S/C16H29N5O/c1-5-6-7-9-18-16(22)14-12-15(20-13(2)19-14)17-10-8-11-21(3)4/h12H,5-11H2,1-4H3,(H,18,22)(H,17,19,20)
InChIKeyKZPXFZWNCROKPF-UHFFFAOYSA-N
XLogP2.07
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.07
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

6-[3-(dimethylamino)propylamino]-2-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361367
N-butyl-N,2-dimethyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846701
6-[3-(dimethylamino)propylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109366614
N-cyclopropyl-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 109361040
6-[3-(dimethylamino)propylamino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109366623
N-[2-(dimethylamino)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109361940
6-[2-(dimethylamino)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109344114
6-(dipropylamino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846812
N-(2-chloro-4,6-dimethylphenyl)-6-[3-(dimethylamino)propylamino]-2-methylpyrimidine-4-carboxamide
CID 109366648
6-[(2-chlorophenyl)methylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 109369963
N-(2-methoxyethyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109364804
[6-[3-(dimethylamino)propylamino]-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109366557

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide?
The IUPAC name of 6-[3-(dimethylamino)propylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide (CID 109366606) is 6-[3-(dimethylamino)propylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[3-(dimethylamino)propylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[3-(dimethylamino)propylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide is CCCCCNC(=O)c1cc(NCCCN(C)C)nc(C)n1.
What is the InChIKey of 6-[3-(dimethylamino)propylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide?
The InChIKey is KZPXFZWNCROKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-5-6-7-9-18-16(22)14-12-15(20-13(2)19-14)17-10-8-11-21(3)4/h12H,5-11H2,1-4H3,(H,18,22)(H,17,19,20).
What are the key properties of 6-[3-(dimethylamino)propylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide?
6-[3-(dimethylamino)propylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.07, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide is sourced from PubChem (CID 109366606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).