N-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]-N-methylbenzamide

C22H30N4O — CID 53098979

IUPACN-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(-c2cc(NC3CCCCC3)ncn2)cc1
InChIInChI=1S/C22H30N4O/c1-3-4-14-26(2)22(27)18-12-10-17(11-13-18)20-15-21(24-16-23-20)25-19-8-6-5-7-9-19/h10-13,15-16,19H,3-9,14H2,1-2H3,(H,23,24,25)
InChIKeyANRJBRODPBOXST-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.76
Rot. Bonds7

About N-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]-N-methylbenzamide

N-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]-N-methylbenzamide (PubChem CID 53098979) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]-N-methylbenzamide.

Molecular Properties

Compound NameN-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]-N-methylbenzamide
PubChem CID53098979
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(-c2cc(NC3CCCCC3)ncn2)cc1
InChIInChI=1S/C22H30N4O/c1-3-4-14-26(2)22(27)18-12-10-17(11-13-18)20-15-21(24-16-23-20)25-19-8-6-5-7-9-19/h10-13,15-16,19H,3-9,14H2,1-2H3,(H,23,24,25)
InChIKeyANRJBRODPBOXST-UHFFFAOYSA-N
XLogP4.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]benzamide
CID 53009834
N-butyl-6-(cyclohexylamino)-N-methylpyridazine-3-carboxamide
CID 109112879
N-butyl-5-(cycloheptylamino)-N-methylpyridine-2-carboxamide
CID 109195352
N-butyl-N-ethyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327347
N-tert-butyl-3-[6-(cyclohexylamino)pyrimidin-4-yl]benzamide
CID 53009873
N-cyclopropyl-6-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 82483168
N-butyl-3-(cyclopentylsulfamoyl)-N-methylbenzamide
CID 37154343
6-butoxy-N-cyclohexylpyrimidin-4-amine
CID 82453632
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774
N-cyclopentyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 50783833
N-butyl-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide
CID 20972697
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide
CID 50783882

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]-N-methylbenzamide?
The IUPAC name of N-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]-N-methylbenzamide (CID 53098979) is N-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]-N-methylbenzamide.
What is the SMILES notation for N-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]-N-methylbenzamide?
The canonical SMILES for N-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]-N-methylbenzamide is CCCCN(C)C(=O)c1ccc(-c2cc(NC3CCCCC3)ncn2)cc1.
What is the InChIKey of N-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]-N-methylbenzamide?
The InChIKey is ANRJBRODPBOXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-3-4-14-26(2)22(27)18-12-10-17(11-13-18)20-15-21(24-16-23-20)25-19-8-6-5-7-9-19/h10-13,15-16,19H,3-9,14H2,1-2H3,(H,23,24,25).
What are the key properties of N-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]-N-methylbenzamide?
N-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]-N-methylbenzamide has a molecular weight of 366.51 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]-N-methylbenzamide is sourced from PubChem (CID 53098979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).