(1R,3S)-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol

C16H23N3O2 — CID 72904752

IUPAC(1R,3S)-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol
SMILESCO[C@H]1C[C@@H](O)C12CCN(c1ncnc3c1CCC3)CC2
InChIInChI=1S/C16H23N3O2/c1-21-14-9-13(20)16(14)5-7-19(8-6-16)15-11-3-2-4-12(11)17-10-18-15/h10,13-14,20H,2-9H2,1H3/t13-,14+/m1/s1
InChIKeyNZCPVONVCKAHTL-KGLIPLIRSA-N
MW289.38 g/mol
LogP1.33
Rot. Bonds2

About (1R,3S)-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol

(1R,3S)-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol (PubChem CID 72904752) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (1R,3S)-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name(1R,3S)-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol
PubChem CID72904752
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(1R,3S)-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol
SMILESCO[C@H]1C[C@@H](O)C12CCN(c1ncnc3c1CCC3)CC2
InChIInChI=1S/C16H23N3O2/c1-21-14-9-13(20)16(14)5-7-19(8-6-16)15-11-3-2-4-12(11)17-10-18-15/h10,13-14,20H,2-9H2,1H3/t13-,14+/m1/s1
InChIKeyNZCPVONVCKAHTL-KGLIPLIRSA-N
XLogP1.33
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,3S)-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(1R*,3S*)-7-(4-ethyl-5-methyl-2-pyrimidinyl)-7-azaspiro[3.5]nonane-1,3-diol
CID 72891186
1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol
CID 56826362
2-(4-(6,7-Dihydro-5h-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl)ethan-1-ol
CID 62832069
(3S*,4S*)-4-methyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3,4-diol
CID 72880324
cis-3-[6-(9-Oxa-2-azaspiro[5.5]undec-2-yl)pyrimidin-4-yl]cyclobutanol
CID 91785403
[1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]methanol
CID 95209067
1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]-N,N-dimethylmethanamine
CID 95764383
rel-(3S,4S)-1-(6-ethyl-5-fluoro-4-pyrimidinyl)-3-(hydroxymethyl)-3-propyl-4-piperidinol
CID 155495156
rel-(3S,4R)-1-(6-ethyl-5-fluoro-4-pyrimidinyl)-4-(hydroxymethyl)-4-propyl-3-piperidinol
CID 155919753
[4-Butyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol
CID 165090250
(3R*,4R*)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methyl-1-piperazinyl)-3-piperidinol
CID 56877567
(4-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)methanol
CID 58458248

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of (1R,3S)-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol (CID 72904752) is (1R,3S)-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for (1R,3S)-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for (1R,3S)-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol is CO[C@H]1C[C@@H](O)C12CCN(c1ncnc3c1CCC3)CC2.
What is the InChIKey of (1R,3S)-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is NZCPVONVCKAHTL-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-21-14-9-13(20)16(14)5-7-19(8-6-16)15-11-3-2-4-12(11)17-10-18-15/h10,13-14,20H,2-9H2,1H3/t13-,14+/m1/s1.
What are the key properties of (1R,3S)-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol?
(1R,3S)-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 289.38 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 72904752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).