N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]cyclohexanecarboxamide

C14H22N4O — CID 72718211

IUPACN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]cyclohexanecarboxamide
SMILESCN(C)c1ccnc(CNC(=O)C2CCCCC2)n1
InChIInChI=1S/C14H22N4O/c1-18(2)13-8-9-15-12(17-13)10-16-14(19)11-6-4-3-5-7-11/h8-9,11H,3-7,10H2,1-2H3,(H,16,19)
InChIKeyRGBNEECXRVAQAX-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.74
Rot. Bonds4

About N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]cyclohexanecarboxamide

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]cyclohexanecarboxamide (PubChem CID 72718211) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]cyclohexanecarboxamide
PubChem CID72718211
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]cyclohexanecarboxamide
SMILESCN(C)c1ccnc(CNC(=O)C2CCCCC2)n1
InChIInChI=1S/C14H22N4O/c1-18(2)13-8-9-15-12(17-13)10-16-14(19)11-6-4-3-5-7-11/h8-9,11H,3-7,10H2,1-2H3,(H,16,19)
InChIKeyRGBNEECXRVAQAX-UHFFFAOYSA-N
XLogP1.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Adatanserin
CID 130918
Adatanserin Hydrochloride
CID 183784
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid cycloheptylamide
CID 3223374
Piperazine, 1-(2-acetyl-1-oxohexyl)-4-(2-pyrimidinyl)-
CID 3074862
N-[(2R)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide
CID 10596147
2-[(5S,7R)-3-methyl-1-adamantyl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide;dihydrochloride
CID 45265570
N-(pyrimidin-2-yl)cyclohexanecarboxamide
CID 819233
1-Pyrimidin-2-yl-piperidine-4-carboxylic acid cyclohexylamide
CID 24792244
Cyclohexyl 4-pyrimidin-2-ylpiperazinyl ketone
CID 727067
Valeramide, 2-propyl-N-(2-pyrimidinyl)-
CID 88962
N-pyrimidin-4-yldodecanamide
CID 117976156
2-{1-[2-(Methylamino)pyrimidin-4-YL]piperidin-4-YL}-N-(3-methylbutyl)acetamide
CID 53189388

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]cyclohexanecarboxamide (CID 72718211) is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]cyclohexanecarboxamide is CN(C)c1ccnc(CNC(=O)C2CCCCC2)n1.
What is the InChIKey of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]cyclohexanecarboxamide?
The InChIKey is RGBNEECXRVAQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-18(2)13-8-9-15-12(17-13)10-16-14(19)11-6-4-3-5-7-11/h8-9,11H,3-7,10H2,1-2H3,(H,16,19).
What are the key properties of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]cyclohexanecarboxamide?
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]cyclohexanecarboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 72718211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).