3-cyclohexyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide

C16H26N4O — CID 121137204

IUPAC3-cyclohexyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide
SMILESCN(C)c1ccnc(CNC(=O)CCC2CCCCC2)n1
InChIInChI=1S/C16H26N4O/c1-20(2)15-10-11-17-14(19-15)12-18-16(21)9-8-13-6-4-3-5-7-13/h10-11,13H,3-9,12H2,1-2H3,(H,18,21)
InChIKeyZHGQMUGESWYBHX-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.52
Rot. Bonds6

About 3-cyclohexyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide

3-cyclohexyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide (PubChem CID 121137204) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-cyclohexyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide
PubChem CID121137204
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-cyclohexyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide
SMILESCN(C)c1ccnc(CNC(=O)CCC2CCCCC2)n1
InChIInChI=1S/C16H26N4O/c1-20(2)15-10-11-17-14(19-15)12-18-16(21)9-8-13-6-4-3-5-7-13/h10-11,13H,3-9,12H2,1-2H3,(H,18,21)
InChIKeyZHGQMUGESWYBHX-UHFFFAOYSA-N
XLogP2.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclohexyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide 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

3-cyclopentyl-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide
CID 122322209
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-oxocyclohexane-1-carboxamide
CID 122322584
3-cyclohexyl-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]propanamide
CID 122254698
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 122322541
3-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 86919796
2-cyclopentyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 122318482
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide
CID 91967035
4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzamide
CID 122322625
N-(1,3-benzothiazol-2-ylmethyl)-3-cyclohexylpropanamide
CID 43003046
3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide
CID 803650
3-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 54883297
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-3-carboxamide
CID 122322468

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide (CID 121137204) is 3-cyclohexyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide is CN(C)c1ccnc(CNC(=O)CCC2CCCCC2)n1.
What is the InChIKey of 3-cyclohexyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide?
The InChIKey is ZHGQMUGESWYBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-20(2)15-10-11-17-14(19-15)12-18-16(21)9-8-13-6-4-3-5-7-13/h10-11,13H,3-9,12H2,1-2H3,(H,18,21).
What are the key properties of 3-cyclohexyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide?
3-cyclohexyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide is sourced from PubChem (CID 121137204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).