1-[1-[6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone

C15H22N6O — CID 4894048

IUPAC1-[1-[6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(-c2cc(NCCCN(C)C)ncn2)c1C
InChIInChI=1S/C15H22N6O/c1-11-13(12(2)22)9-19-21(11)15-8-14(17-10-18-15)16-6-5-7-20(3)4/h8-10H,5-7H2,1-4H3,(H,16,17,18)
InChIKeyVEUFYGGLZBIZRK-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.54
Rot. Bonds7

About 1-[1-[6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone

1-[1-[6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone (PubChem CID 4894048) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[1-[6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
PubChem CID4894048
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name1-[1-[6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(-c2cc(NCCCN(C)C)ncn2)c1C
InChIInChI=1S/C15H22N6O/c1-11-13(12(2)22)9-19-21(11)15-8-14(17-10-18-15)16-6-5-7-20(3)4/h8-10H,5-7H2,1-4H3,(H,16,17,18)
InChIKeyVEUFYGGLZBIZRK-UHFFFAOYSA-N
XLogP1.54
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[1-[6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone 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

1-[1-(6-anilinopyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone
CID 15944231
1-[1-[6-(4-chloroanilino)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
CID 4899452
1-[1-[6-(4-methoxyanilino)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
CID 4972505
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109344684
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 66324958
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240740
6-N-[3-(dimethylamino)propyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281911
N',N'-dimethyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]propane-1,3-diamine
CID 112857771
1-[3-[[6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112857842
N-(3,5-dichlorophenyl)-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109344839
N-(6-chloropyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 56832156
N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 61233848

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone?
The IUPAC name of 1-[1-[6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone (CID 4894048) is 1-[1-[6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-[6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone?
The canonical SMILES for 1-[1-[6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone is CC(=O)c1cnn(-c2cc(NCCCN(C)C)ncn2)c1C.
What is the InChIKey of 1-[1-[6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone?
The InChIKey is VEUFYGGLZBIZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-11-13(12(2)22)9-19-21(11)15-8-14(17-10-18-15)16-6-5-7-20(3)4/h8-10H,5-7H2,1-4H3,(H,16,17,18).
What are the key properties of 1-[1-[6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone?
1-[1-[6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone has a molecular weight of 302.38 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone is sourced from PubChem (CID 4894048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).