4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexan-1-one

C11H14ClN3O — CID 142188467

IUPAC4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexan-1-one
SMILESCc1cnc(Cl)nc1NC1CCC(=O)CC1
InChIInChI=1S/C11H14ClN3O/c1-7-6-13-11(12)15-10(7)14-8-2-4-9(16)5-3-8/h6,8H,2-5H2,1H3,(H,13,14,15)
InChIKeyKFOOLQLVBOQERY-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.36
Rot. Bonds2

About 4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexan-1-one

4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexan-1-one (PubChem CID 142188467) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexan-1-one
PubChem CID142188467
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexan-1-one
SMILESCc1cnc(Cl)nc1NC1CCC(=O)CC1
InChIInChI=1S/C11H14ClN3O/c1-7-6-13-11(12)15-10(7)14-8-2-4-9(16)5-3-8/h6,8H,2-5H2,1H3,(H,13,14,15)
InChIKeyKFOOLQLVBOQERY-UHFFFAOYSA-N
XLogP2.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-diaminopyrimidin-5-yl)methyl]decanamide
CID 44356653
1-[(2R)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]ethanone
CID 58320386
1-[(1S,2S)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]ethanone
CID 58320411
(S)-3-(2-chloro-5-fluoropyrimidin-4-ylamino)cyclohexanone
CID 86667417
3-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-one
CID 87339045
(4R)-4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-5,5-dimethylhexan-2-one
CID 134316789
3-[[(2-Chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-one
CID 144111429
4-[(5-Fluoropyrimidin-2-yl)-methylamino]cyclohexan-1-one
CID 104606100
4-(Pyrimidin-4-ylamino)cyclohexan-1-one
CID 57129909
N-(5-methylpyrimidin-2-yl)hexanamide
CID 58339651
4-[(5-Bromo-2-chloropyrimidin-4-yl)amino]cyclohexan-1-one
CID 58891293
2-chloro-N-hexan-3-yl-5-methylpyrimidin-4-amine
CID 79073373

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexan-1-one?
The IUPAC name of 4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexan-1-one (CID 142188467) is 4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexan-1-one?
The canonical SMILES for 4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexan-1-one is Cc1cnc(Cl)nc1NC1CCC(=O)CC1.
What is the InChIKey of 4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexan-1-one?
The InChIKey is KFOOLQLVBOQERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-7-6-13-11(12)15-10(7)14-8-2-4-9(16)5-3-8/h6,8H,2-5H2,1H3,(H,13,14,15).
What are the key properties of 4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexan-1-one?
4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexan-1-one has a molecular weight of 239.71 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexan-1-one is sourced from PubChem (CID 142188467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).