ethyl 2-cyclohexyl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate

C16H26N2O2 — CID 15103671

IUPACethyl 2-cyclohexyl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate
SMILESCCOC(=O)C1=C2CCCN2CN(C2CCCCC2)C1
InChIInChI=1S/C16H26N2O2/c1-2-20-16(19)14-11-18(13-7-4-3-5-8-13)12-17-10-6-9-15(14)17/h13H,2-12H2,1H3
InChIKeyHPERNFNCNOMQDV-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.51
Rot. Bonds3

About ethyl 2-cyclohexyl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate

ethyl 2-cyclohexyl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate (PubChem CID 15103671) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is ethyl 2-cyclohexyl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyclohexyl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate
PubChem CID15103671
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Nameethyl 2-cyclohexyl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate
SMILESCCOC(=O)C1=C2CCCN2CN(C2CCCCC2)C1
InChIInChI=1S/C16H26N2O2/c1-2-20-16(19)14-11-18(13-7-4-3-5-8-13)12-17-10-6-9-15(14)17/h13H,2-12H2,1H3
InChIKeyHPERNFNCNOMQDV-UHFFFAOYSA-N
XLogP2.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-cyclohexyl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclohexyl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate?
The IUPAC name of ethyl 2-cyclohexyl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate (CID 15103671) is ethyl 2-cyclohexyl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2-cyclohexyl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2-cyclohexyl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate is CCOC(=O)C1=C2CCCN2CN(C2CCCCC2)C1.
What is the InChIKey of ethyl 2-cyclohexyl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate?
The InChIKey is HPERNFNCNOMQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-20-16(19)14-11-18(13-7-4-3-5-8-13)12-17-10-6-9-15(14)17/h13H,2-12H2,1H3.
What are the key properties of ethyl 2-cyclohexyl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate?
ethyl 2-cyclohexyl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate has a molecular weight of 278.40 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohexyl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate is sourced from PubChem (CID 15103671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).