(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

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Related Compounds

(2S)-1-[(2R)-2-ethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol
CID 98774925
1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]ethanol
CID 103773457
6-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 124868275
4-(4-cyclopentyl-3-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 166260518
6-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 95599847
4-(3-bromopyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 80669009
[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 62831697
N-ethyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-amine
CID 141430986
4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 121185306
1-[2-ethyl-4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]propan-2-ol
CID 133401394
4-[4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]-6-fluoroquinazoline
CID 136518924
4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 70756219

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).