(3R,4S)-4-ethyl-1-[(4-methyl-5H-cyclopenta[d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol

C15H21N3O — CID 159692716

IUPAC(3R,4S)-4-ethyl-1-[(4-methyl-5H-cyclopenta[d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol
SMILESCC[C@H]1CN(CC2=CCc3c(C)ncnc32)C[C@@H]1O
InChIInChI=1S/C15H21N3O/c1-3-11-6-18(8-14(11)19)7-12-4-5-13-10(2)16-9-17-15(12)13/h4,9,11,14,19H,3,5-8H2,1-2H3/t11-,14-/m0/s1
InChIKeyPOTBSROATGQUBZ-FZMZJTMJSA-N
MW259.35 g/mol
LogP1.43
Rot. Bonds3

About (3R,4S)-4-ethyl-1-[(4-methyl-5H-cyclopenta[d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol

(3R,4S)-4-ethyl-1-[(4-methyl-5H-cyclopenta[d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol (PubChem CID 159692716) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (3R,4S)-4-ethyl-1-[(4-methyl-5H-cyclopenta[d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-ethyl-1-[(4-methyl-5H-cyclopenta[d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol
PubChem CID159692716
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(3R,4S)-4-ethyl-1-[(4-methyl-5H-cyclopenta[d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol
SMILESCC[C@H]1CN(CC2=CCc3c(C)ncnc32)C[C@@H]1O
InChIInChI=1S/C15H21N3O/c1-3-11-6-18(8-14(11)19)7-12-4-5-13-10(2)16-9-17-15(12)13/h4,9,11,14,19H,3,5-8H2,1-2H3/t11-,14-/m0/s1
InChIKeyPOTBSROATGQUBZ-FZMZJTMJSA-N
XLogP1.43
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4S)-4-ethyl-1-[(4-methyl-5H-cyclopenta[d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

(3R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol
CID 159854721
(3R,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(3-ethylsulfanylpropyl)pyrrolidin-3-ol
CID 159562065
7-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one
CID 161182398
(3R,4R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(1-ethyltriazol-4-yl)pyrrolidin-3-ol
CID 159562064
(3R,4S)-1-[(4-amino-5H-cyclopenta[b]pyridin-7-yl)methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(butylsulfanylmethyl)pyrrolidin-3-ol
CID 158498747
4-ethyl-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol
CID 130927622
(3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol
CID 57045077
1-benzyl-4-ethylpyrrolidin-3-ol
CID 18939335
(3R,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-4-ethylpyrrolidin-3-ol
CID 122691781
7-[[(3S,4S)-3-[(4-chlorophenyl)sulfanylmethyl]-4-hydroxypyrrolidin-1-yl]methyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one
CID 136600959
1-[(5-bromofuran-3-yl)methyl]-4-ethylpyrrolidin-3-ol
CID 130825988
(3R,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-[2-[2-(2-hydroxyethoxy)ethylsulfanyl]ethyl]pyrrolidin-3-ol;5H-cyclopenta[d]pyrimidin-4-amine;(3R,4S)-4-[2-[2-(2-hydroxyethoxy)ethylsulfanyl]ethyl]pyrrolidin-3-ol
CID 160638272

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-ethyl-1-[(4-methyl-5H-cyclopenta[d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R,4S)-4-ethyl-1-[(4-methyl-5H-cyclopenta[d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol (CID 159692716) is (3R,4S)-4-ethyl-1-[(4-methyl-5H-cyclopenta[d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4S)-4-ethyl-1-[(4-methyl-5H-cyclopenta[d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,4S)-4-ethyl-1-[(4-methyl-5H-cyclopenta[d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol is CC[C@H]1CN(CC2=CCc3c(C)ncnc32)C[C@@H]1O.
What is the InChIKey of (3R,4S)-4-ethyl-1-[(4-methyl-5H-cyclopenta[d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol?
The InChIKey is POTBSROATGQUBZ-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-11-6-18(8-14(11)19)7-12-4-5-13-10(2)16-9-17-15(12)13/h4,9,11,14,19H,3,5-8H2,1-2H3/t11-,14-/m0/s1.
What are the key properties of (3R,4S)-4-ethyl-1-[(4-methyl-5H-cyclopenta[d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol?
(3R,4S)-4-ethyl-1-[(4-methyl-5H-cyclopenta[d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol has a molecular weight of 259.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-ethyl-1-[(4-methyl-5H-cyclopenta[d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 159692716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).