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

C21H28N4O — CID 53009834

IUPACN-tert-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(-c2cc(NC3CCCCC3)ncn2)cc1
InChIInChI=1S/C21H28N4O/c1-21(2,3)25-20(26)16-11-9-15(10-12-16)18-13-19(23-14-22-18)24-17-7-5-4-6-8-17/h9-14,17H,4-8H2,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyOBXYGQQQWQGFSG-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.42
Rot. Bonds4

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

N-tert-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]benzamide (PubChem CID 53009834) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-tert-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]benzamide
PubChem CID53009834
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-tert-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(-c2cc(NC3CCCCC3)ncn2)cc1
InChIInChI=1S/C21H28N4O/c1-21(2,3)25-20(26)16-11-9-15(10-12-16)18-13-19(23-14-22-18)24-17-7-5-4-6-8-17/h9-14,17H,4-8H2,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyOBXYGQQQWQGFSG-UHFFFAOYSA-N
XLogP4.42
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-[6-(cyclohexylamino)pyrimidin-4-yl]benzamide
CID 53009873
N-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]-N-methylbenzamide
CID 53098979
N-cyclopentyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 50783833
N-cyclopropyl-6-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 82483168
N-tert-butyl-2-(cycloheptylamino)pyrimidine-5-carboxamide
CID 109262837
3-N-tert-butyl-1-N-cycloheptylbenzene-1,3-dicarboxamide
CID 109055977
N-cyclohexyl-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109341807
5-N-tert-butyl-3-N-cycloheptylpyridine-3,5-dicarboxamide
CID 109106897
N-cyclohexyl-4-(4-methyl-2-pyridinyl)benzamide
CID 59672894
N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methylbenzamide
CID 113044373
N-cyclopentyl-4-[4-(1,1-difluoroethyl)-2-pyridinyl]benzamide
CID 143032281
N-cyclopropyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 96667428

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]benzamide?
The IUPAC name of N-tert-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]benzamide (CID 53009834) is N-tert-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]benzamide.
What is the SMILES notation for N-tert-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]benzamide?
The canonical SMILES for N-tert-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]benzamide is CC(C)(C)NC(=O)c1ccc(-c2cc(NC3CCCCC3)ncn2)cc1.
What is the InChIKey of N-tert-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]benzamide?
The InChIKey is OBXYGQQQWQGFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-21(2,3)25-20(26)16-11-9-15(10-12-16)18-13-19(23-14-22-18)24-17-7-5-4-6-8-17/h9-14,17H,4-8H2,1-3H3,(H,25,26)(H,22,23,24).
What are the key properties of N-tert-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]benzamide?
N-tert-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]benzamide has a molecular weight of 352.48 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 53009834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).