1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethylazetidine-3-carboxamide

C16H22N4O — CID 75482803

IUPAC1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethylazetidine-3-carboxamide
SMILESCCNC(=O)C1CN(c2nc(C3CC3)nc3c2CCC3)C1
InChIInChI=1S/C16H22N4O/c1-2-17-16(21)11-8-20(9-11)15-12-4-3-5-13(12)18-14(19-15)10-6-7-10/h10-11H,2-9H2,1H3,(H,17,21)
InChIKeyYUPZRFOKCCRHKI-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.41
Rot. Bonds4

About 1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethylazetidine-3-carboxamide

1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethylazetidine-3-carboxamide (PubChem CID 75482803) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethylazetidine-3-carboxamide
PubChem CID75482803
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethylazetidine-3-carboxamide
SMILESCCNC(=O)C1CN(c2nc(C3CC3)nc3c2CCC3)C1
InChIInChI=1S/C16H22N4O/c1-2-17-16(21)11-8-20(9-11)15-12-4-3-5-13(12)18-14(19-15)10-6-7-10/h10-11H,2-9H2,1H3,(H,17,21)
InChIKeyYUPZRFOKCCRHKI-UHFFFAOYSA-N
XLogP1.41
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethylazetidine-3-carboxamide?
The IUPAC name of 1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethylazetidine-3-carboxamide (CID 75482803) is 1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethylazetidine-3-carboxamide.
What is the SMILES notation for 1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethylazetidine-3-carboxamide?
The canonical SMILES for 1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethylazetidine-3-carboxamide is CCNC(=O)C1CN(c2nc(C3CC3)nc3c2CCC3)C1.
What is the InChIKey of 1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethylazetidine-3-carboxamide?
The InChIKey is YUPZRFOKCCRHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-17-16(21)11-8-20(9-11)15-12-4-3-5-13(12)18-14(19-15)10-6-7-10/h10-11H,2-9H2,1H3,(H,17,21).
What are the key properties of 1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethylazetidine-3-carboxamide?
1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethylazetidine-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethylazetidine-3-carboxamide is sourced from PubChem (CID 75482803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).