4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-5-methylpyrimidine

C16H17ClN2O — CID 65407928

IUPAC4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-5-methylpyrimidine
SMILESCCc1nc(C2COc3ccccc3C2)nc(Cl)c1C
InChIInChI=1S/C16H17ClN2O/c1-3-13-10(2)15(17)19-16(18-13)12-8-11-6-4-5-7-14(11)20-9-12/h4-7,12H,3,8-9H2,1-2H3
InChIKeyRNQAYCKCRFKPAX-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.72
Rot. Bonds2

About 4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-5-methylpyrimidine

4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-5-methylpyrimidine (PubChem CID 65407928) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-5-methylpyrimidine
PubChem CID65407928
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-5-methylpyrimidine
SMILESCCc1nc(C2COc3ccccc3C2)nc(Cl)c1C
InChIInChI=1S/C16H17ClN2O/c1-3-13-10(2)15(17)19-16(18-13)12-8-11-6-4-5-7-14(11)20-9-12/h4-7,12H,3,8-9H2,1-2H3
InChIKeyRNQAYCKCRFKPAX-UHFFFAOYSA-N
XLogP3.72
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 65405035
2-(3,4-dihydro-2H-chromen-3-yl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740741
5-bromo-4-chloro-6-cyclopropyl-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine
CID 66292068
2-(3,4-dihydro-2H-chromen-3-yl)-6-methylpyrimidin-4-amine
CID 65406183
4-chloro-6-ethyl-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine
CID 66294437
N-[[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65405832
2-(3,4-dihydro-2H-chromen-3-yl)-N-propylpyrimidin-4-amine
CID 65406387
5-(2-chloroethyl)-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazole
CID 65415288
5-bromo-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-thiadiazole
CID 102618251
3-(3,4-dihydro-2H-chromen-3-yl)-5-(oxan-4-yl)-1H-1,2,4-triazole
CID 74232102
(1S)-1-[2-(3,4-dihydro-2H-chromen-3-yl)-4-methylpyrimidin-5-yl]ethanol
CID 103431535
(1S)-1-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900174

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-5-methylpyrimidine?
The IUPAC name of 4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-5-methylpyrimidine (CID 65407928) is 4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-5-methylpyrimidine is CCc1nc(C2COc3ccccc3C2)nc(Cl)c1C.
What is the InChIKey of 4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-5-methylpyrimidine?
The InChIKey is RNQAYCKCRFKPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-3-13-10(2)15(17)19-16(18-13)12-8-11-6-4-5-7-14(11)20-9-12/h4-7,12H,3,8-9H2,1-2H3.
What are the key properties of 4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-5-methylpyrimidine?
4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-5-methylpyrimidine has a molecular weight of 288.78 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-5-methylpyrimidine is sourced from PubChem (CID 65407928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).