6-chloro-3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylpyrimidin-4-one

C15H15ClN2O2 — CID 114581590

IUPAC6-chloro-3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CC1CCOc2ccccc21
InChIInChI=1S/C15H15ClN2O2/c1-10-17-14(16)8-15(19)18(10)9-11-6-7-20-13-5-3-2-4-12(11)13/h2-5,8,11H,6-7,9H2,1H3
InChIKeyBYFDLOKLGLGGHP-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.77
Rot. Bonds2

About 6-chloro-3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylpyrimidin-4-one

6-chloro-3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylpyrimidin-4-one (PubChem CID 114581590) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 6-chloro-3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylpyrimidin-4-one
PubChem CID114581590
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name6-chloro-3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CC1CCOc2ccccc21
InChIInChI=1S/C15H15ClN2O2/c1-10-17-14(16)8-15(19)18(10)9-11-6-7-20-13-5-3-2-4-12(11)13/h2-5,8,11H,6-7,9H2,1H3
InChIKeyBYFDLOKLGLGGHP-UHFFFAOYSA-N
XLogP2.77
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrimidin-4-one
CID 114582018
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylpyrazol-4-amine
CID 104768444
6-chloro-3-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-iodopyrimidin-4-one
CID 114583740
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine
CID 124881489
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-iodo-1,2,4-triazole
CID 104772475
1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-amine
CID 104768448
methyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,2,4-triazole-3-carboxylate
CID 104768768
[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine
CID 113451461

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylpyrimidin-4-one (CID 114581590) is 6-chloro-3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylpyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CC1CCOc2ccccc21.
What is the InChIKey of 6-chloro-3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylpyrimidin-4-one?
The InChIKey is BYFDLOKLGLGGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10-17-14(16)8-15(19)18(10)9-11-6-7-20-13-5-3-2-4-12(11)13/h2-5,8,11H,6-7,9H2,1H3.
What are the key properties of 6-chloro-3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylpyrimidin-4-one?
6-chloro-3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylpyrimidin-4-one has a molecular weight of 290.75 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylpyrimidin-4-one is sourced from PubChem (CID 114581590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).