4-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclohexane-1-carboxamide

C11H14BrClN4O — CID 106193759

IUPAC4-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(Nc2nc(Cl)ncc2Br)CC1
InChIInChI=1S/C11H14BrClN4O/c12-8-5-15-11(13)17-10(8)16-7-3-1-6(2-4-7)9(14)18/h5-7H,1-4H2,(H2,14,18)(H,15,16,17)
InChIKeyYOEQMVBHBZMHFR-UHFFFAOYSA-N
MW333.62 g/mol
LogP2.35
Rot. Bonds3

About 4-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclohexane-1-carboxamide

4-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclohexane-1-carboxamide (PubChem CID 106193759) has the molecular formula C11H14BrClN4O and a molecular weight of 333.62 g/mol. Its IUPAC name is 4-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclohexane-1-carboxamide
PubChem CID106193759
Molecular FormulaC11H14BrClN4O
Molecular Weight333.62 g/mol
Exact Mass332.00
IUPAC Name4-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(Nc2nc(Cl)ncc2Br)CC1
InChIInChI=1S/C11H14BrClN4O/c12-8-5-15-11(13)17-10(8)16-7-3-1-6(2-4-7)9(14)18/h5-7H,1-4H2,(H2,14,18)(H,15,16,17)
InChIKeyYOEQMVBHBZMHFR-UHFFFAOYSA-N
XLogP2.35
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.62
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclohexyl] carbamate
CID 175010663
2-[4-[(5-bromo-2-chloropyrimidin-4-yl)amino]piperidin-1-yl]acetamide
CID 106193249
3-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclobutan-1-ol
CID 79073506
[2-chloro-4-(cyclopropylamino)pyrimidin-5-yl]-silylmethanone
CID 162245679
4-[(4-aminocyclohexyl)amino]-2-chloropyrimidine-5-carboxylic acid
CID 89127830
[4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexyl]carbamic acid
CID 141129534
4-[(2-chloropyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxamide
CID 61051961
cis-(1S,2R)-2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-N-methylcyclopentane-1-carboxamide
CID 59361807
(3S,4R)-4-[(5-bromo-2-chloropyrimidin-4-yl)amino]oxolan-3-ol
CID 130702874
5-bromo-2-chloro-N-(2-ethylcyclohexyl)pyrimidin-4-amine
CID 79075996
1-(5-bromo-2-chloropyrimidin-4-yl)piperidine-3-carboxamide
CID 79075744
4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butanamide
CID 79075455

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclohexane-1-carboxamide (CID 106193759) is 4-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclohexane-1-carboxamide is NC(=O)C1CCC(Nc2nc(Cl)ncc2Br)CC1.
What is the InChIKey of 4-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is YOEQMVBHBZMHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN4O/c12-8-5-15-11(13)17-10(8)16-7-3-1-6(2-4-7)9(14)18/h5-7H,1-4H2,(H2,14,18)(H,15,16,17).
What are the key properties of 4-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
4-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 333.62 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 106193759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).