4-chloro-2-(3,4-dihydro-2H-chromen-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C16H15ClN2O — CID 65407159

IUPAC4-chloro-2-(3,4-dihydro-2H-chromen-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESClc1nc(C2CCOc3ccccc32)nc2c1CCC2
InChIInChI=1S/C16H15ClN2O/c17-15-12-5-3-6-13(12)18-16(19-15)11-8-9-20-14-7-2-1-4-10(11)14/h1-2,4,7,11H,3,5-6,8-9H2
InChIKeyBTAAVGBYNYFSNC-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.53
Rot. Bonds1

About 4-chloro-2-(3,4-dihydro-2H-chromen-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-chloro-2-(3,4-dihydro-2H-chromen-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 65407159) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 4-chloro-2-(3,4-dihydro-2H-chromen-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3,4-dihydro-2H-chromen-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID65407159
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name4-chloro-2-(3,4-dihydro-2H-chromen-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESClc1nc(C2CCOc3ccccc32)nc2c1CCC2
InChIInChI=1S/C16H15ClN2O/c17-15-12-5-3-6-13(12)18-16(19-15)11-8-9-20-14-7-2-1-4-10(11)14/h1-2,4,7,11H,3,5-6,8-9H2
InChIKeyBTAAVGBYNYFSNC-UHFFFAOYSA-N
XLogP3.53
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83192961
4-chloro-2-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 59362936
3-cyclopropyl-5-(3,4-dihydro-2H-chromen-4-yl)-1H-1,2,4-triazole
CID 55227631
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83192987
3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine
CID 65406401
4-chloro-2-cyclobutyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 64981889
4-chloro-2-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 65391574
5-(3,4-dihydro-2H-chromen-4-yl)-3-phenyl-1H-1,2,4-triazole
CID 63708320
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 65403635
5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-4-amine
CID 66298443
5-(1-chloroethyl)-2-(3,4-dihydro-2H-chromen-4-yl)-4-methylpyrimidine
CID 65406034
3-(3,4-dihydro-2H-chromen-4-yl)-2H-1,2,4-oxadiazole-5-thione
CID 65405652

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,4-dihydro-2H-chromen-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-chloro-2-(3,4-dihydro-2H-chromen-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 65407159) is 4-chloro-2-(3,4-dihydro-2H-chromen-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(3,4-dihydro-2H-chromen-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-chloro-2-(3,4-dihydro-2H-chromen-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Clc1nc(C2CCOc3ccccc32)nc2c1CCC2.
What is the InChIKey of 4-chloro-2-(3,4-dihydro-2H-chromen-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is BTAAVGBYNYFSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-15-12-5-3-6-13(12)18-16(19-15)11-8-9-20-14-7-2-1-4-10(11)14/h1-2,4,7,11H,3,5-6,8-9H2.
What are the key properties of 4-chloro-2-(3,4-dihydro-2H-chromen-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-chloro-2-(3,4-dihydro-2H-chromen-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 286.76 g/mol, XLogP of 3.53, 1 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-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 65407159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).