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

C13H22N2O2 — CID 15103665

IUPACethyl 2-propan-2-yl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate
SMILESCCOC(=O)C1=C2CCCN2CN(C(C)C)C1
InChIInChI=1S/C13H22N2O2/c1-4-17-13(16)11-8-15(10(2)3)9-14-7-5-6-12(11)14/h10H,4-9H2,1-3H3
InChIKeyOXSVAJZNVRYHED-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.58
Rot. Bonds3

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

ethyl 2-propan-2-yl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate (PubChem CID 15103665) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is ethyl 2-propan-2-yl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-propan-2-yl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate
PubChem CID15103665
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Nameethyl 2-propan-2-yl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate
SMILESCCOC(=O)C1=C2CCCN2CN(C(C)C)C1
InChIInChI=1S/C13H22N2O2/c1-4-17-13(16)11-8-15(10(2)3)9-14-7-5-6-12(11)14/h10H,4-9H2,1-3H3
InChIKeyOXSVAJZNVRYHED-UHFFFAOYSA-N
XLogP1.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-propan-2-yl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate?
The IUPAC name of ethyl 2-propan-2-yl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate (CID 15103665) is ethyl 2-propan-2-yl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2-propan-2-yl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2-propan-2-yl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate is CCOC(=O)C1=C2CCCN2CN(C(C)C)C1.
What is the InChIKey of ethyl 2-propan-2-yl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate?
The InChIKey is OXSVAJZNVRYHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-17-13(16)11-8-15(10(2)3)9-14-7-5-6-12(11)14/h10H,4-9H2,1-3H3.
What are the key properties of ethyl 2-propan-2-yl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate?
ethyl 2-propan-2-yl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate has a molecular weight of 238.33 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-propan-2-yl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate is sourced from PubChem (CID 15103665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).