methyl 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate

C9H9ClN2O2 — CID 66288813

IUPACmethyl 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c2c(n1)CCC2
InChIInChI=1S/C9H9ClN2O2/c1-14-9(13)8-11-6-4-2-3-5(6)7(10)12-8/h2-4H2,1H3
InChIKeyIQANMKDYMZCHOG-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.41
Rot. Bonds1

About methyl 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate

methyl 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate (PubChem CID 66288813) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is methyl 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate
PubChem CID66288813
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Namemethyl 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c2c(n1)CCC2
InChIInChI=1S/C9H9ClN2O2/c1-14-9(13)8-11-6-4-2-3-5(6)7(10)12-8/h2-4H2,1H3
InChIKeyIQANMKDYMZCHOG-UHFFFAOYSA-N
XLogP1.41
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate (CID 66288813) is methyl 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate is COC(=O)c1nc(Cl)c2c(n1)CCC2.
What is the InChIKey of methyl 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate?
The InChIKey is IQANMKDYMZCHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-14-9(13)8-11-6-4-2-3-5(6)7(10)12-8/h2-4H2,1H3.
What are the key properties of methyl 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate?
methyl 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate has a molecular weight of 212.64 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate is sourced from PubChem (CID 66288813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).