(2R)-1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-ethylpiperazin-1-yl]propan-2-ol

C16H26N4O — CID 95764162

IUPAC(2R)-1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-ethylpiperazin-1-yl]propan-2-ol
SMILESCC[C@H]1CN(c2ncnc3c2CCC3)CCN1C[C@@H](C)O
InChIInChI=1S/C16H26N4O/c1-3-13-10-20(8-7-19(13)9-12(2)21)16-14-5-4-6-15(14)17-11-18-16/h11-13,21H,3-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyIJOGUOUJZAOXKI-OLZOCXBDSA-N
MW290.41 g/mol
LogP1.25
Rot. Bonds4

About (2R)-1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-ethylpiperazin-1-yl]propan-2-ol

(2R)-1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-ethylpiperazin-1-yl]propan-2-ol (PubChem CID 95764162) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (2R)-1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-ethylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-ethylpiperazin-1-yl]propan-2-ol
PubChem CID95764162
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(2R)-1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-ethylpiperazin-1-yl]propan-2-ol
SMILESCC[C@H]1CN(c2ncnc3c2CCC3)CCN1C[C@@H](C)O
InChIInChI=1S/C16H26N4O/c1-3-13-10-20(8-7-19(13)9-12(2)21)16-14-5-4-6-15(14)17-11-18-16/h11-13,21H,3-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyIJOGUOUJZAOXKI-OLZOCXBDSA-N
XLogP1.25
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-ethylpiperazin-1-yl]propan-2-ol 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 (2R)-1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-ethylpiperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-ethylpiperazin-1-yl]propan-2-ol (CID 95764162) is (2R)-1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-ethylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-ethylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-ethylpiperazin-1-yl]propan-2-ol is CC[C@H]1CN(c2ncnc3c2CCC3)CCN1C[C@@H](C)O.
What is the InChIKey of (2R)-1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-ethylpiperazin-1-yl]propan-2-ol?
The InChIKey is IJOGUOUJZAOXKI-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-13-10-20(8-7-19(13)9-12(2)21)16-14-5-4-6-15(14)17-11-18-16/h11-13,21H,3-10H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (2R)-1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-ethylpiperazin-1-yl]propan-2-ol?
(2R)-1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-ethylpiperazin-1-yl]propan-2-ol has a molecular weight of 290.41 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-ethylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 95764162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).