1-(6-chloropyrimidin-4-yl)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one

C19H21ClN2O2 — CID 158232164

IUPAC1-(6-chloropyrimidin-4-yl)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one
SMILESO=C(CCC(O)CCC1Cc2ccccc2C1)c1cc(Cl)ncn1
InChIInChI=1S/C19H21ClN2O2/c20-19-11-17(21-12-22-19)18(24)8-7-16(23)6-5-13-9-14-3-1-2-4-15(14)10-13/h1-4,11-13,16,23H,5-10H2
InChIKeyMQYIBZVVUNOQPU-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.65
Rot. Bonds7

About 1-(6-chloropyrimidin-4-yl)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one

1-(6-chloropyrimidin-4-yl)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one (PubChem CID 158232164) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 1-(6-chloropyrimidin-4-yl)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one.

Molecular Properties

Compound Name1-(6-chloropyrimidin-4-yl)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one
PubChem CID158232164
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name1-(6-chloropyrimidin-4-yl)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one
SMILESO=C(CCC(O)CCC1Cc2ccccc2C1)c1cc(Cl)ncn1
InChIInChI=1S/C19H21ClN2O2/c20-19-11-17(21-12-22-19)18(24)8-7-16(23)6-5-13-9-14-3-1-2-4-15(14)10-13/h1-4,11-13,16,23H,5-10H2
InChIKeyMQYIBZVVUNOQPU-UHFFFAOYSA-N
XLogP3.65
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-(4-phenylphenyl)hexan-1-one
CID 160878443
1-[2-[cyclopentyl(methyl)amino]-4-pyridinyl]-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one
CID 147606318
(4R)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]hexan-1-one
CID 146769874
(4S)-6-(2,3-dihydro-1H-inden-2-yl)-1-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-ethoxyphenyl]-4-hydroxyhexan-1-one
CID 160610063
(4S)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-[4-(3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]hexan-1-one
CID 159255305
4-acetylbenzoic acid;(4S)-1-(4-acetylphenyl)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one;(2S)-1-amino-4-(2,3-dihydro-1H-inden-2-yl)butan-2-ol;4-[(4S)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexanoyl]benzoic acid;(diiodo-λ3-iodanyl)-diiodo-λ3-iodane;methane
CID 159046772
(4S)-1-[6-[[1-(cyclobutanecarbonyl)azetidin-3-yl]amino]pyrimidin-4-yl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one
CID 160520928
(4S)-1-[6-[(1-acetylpiperidin-4-yl)amino]pyrimidin-4-yl]-4-hydroxy-5-spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-ylpentan-1-one
CID 161377298
(6-chloropyrimidin-4-yl)-[1-[3-(oxocan-4-yl)propyl]indol-3-yl]methanone
CID 143791438
6-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-4-carboxylic acid
CID 165146859
3-[3-(6-chloropyrimidine-4-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 87605034
(4R)-4-hydroxy-1-(2-methoxy-4-pyridinyl)-4-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]butan-1-one;hydrochloride
CID 161464319

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyrimidin-4-yl)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one?
The IUPAC name of 1-(6-chloropyrimidin-4-yl)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one (CID 158232164) is 1-(6-chloropyrimidin-4-yl)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one.
What is the SMILES notation for 1-(6-chloropyrimidin-4-yl)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one?
The canonical SMILES for 1-(6-chloropyrimidin-4-yl)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one is O=C(CCC(O)CCC1Cc2ccccc2C1)c1cc(Cl)ncn1.
What is the InChIKey of 1-(6-chloropyrimidin-4-yl)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one?
The InChIKey is MQYIBZVVUNOQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-19-11-17(21-12-22-19)18(24)8-7-16(23)6-5-13-9-14-3-1-2-4-15(14)10-13/h1-4,11-13,16,23H,5-10H2.
What are the key properties of 1-(6-chloropyrimidin-4-yl)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one?
1-(6-chloropyrimidin-4-yl)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one has a molecular weight of 344.84 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyrimidin-4-yl)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one is sourced from PubChem (CID 158232164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).