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

C17H26N4OS — CID 159562065

IUPAC(3R,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(3-ethylsulfanylpropyl)pyrrolidin-3-ol
SMILESCCSCCC[C@H]1CN(CC2=CCc3c(N)ncnc32)C[C@@H]1O
InChIInChI=1S/C17H26N4OS/c1-2-23-7-3-4-12-8-21(10-15(12)22)9-13-5-6-14-16(13)19-11-20-17(14)18/h5,11-12,15,22H,2-4,6-10H2,1H3,(H2,18,19,20)/t12-,15-/m0/s1
InChIKeyFLNHCGVEAFQKNP-WFASDCNBSA-N
MW334.49 g/mol
LogP1.82
Rot. Bonds7

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

(3R,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(3-ethylsulfanylpropyl)pyrrolidin-3-ol (PubChem CID 159562065) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is (3R,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(3-ethylsulfanylpropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(3-ethylsulfanylpropyl)pyrrolidin-3-ol
PubChem CID159562065
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Name(3R,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(3-ethylsulfanylpropyl)pyrrolidin-3-ol
SMILESCCSCCC[C@H]1CN(CC2=CCc3c(N)ncnc32)C[C@@H]1O
InChIInChI=1S/C17H26N4OS/c1-2-23-7-3-4-12-8-21(10-15(12)22)9-13-5-6-14-16(13)19-11-20-17(14)18/h5,11-12,15,22H,2-4,6-10H2,1H3,(H2,18,19,20)/t12-,15-/m0/s1
InChIKeyFLNHCGVEAFQKNP-WFASDCNBSA-N
XLogP1.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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[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
(3R,4S)-4-ethyl-1-[(4-methyl-5H-cyclopenta[d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol
CID 159692716
(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
(3R,4R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(1-ethyltriazol-4-yl)pyrrolidin-3-ol
CID 159562064
7-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one
CID 161182398
(3S,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(butylsulfanylmethyl)pyrrolidin-3-ol
CID 73213610
1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(butylsulfanylmethyl)pyrrolidin-3-ol
CID 72829752
1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-pentylpyrrolidin-3-ol
CID 123651063
(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(pentylsulfanylmethyl)pyrrolidin-3-ol
CID 147240131
7-[[(3S,4S)-3-[(4-chlorophenyl)sulfanylmethyl]-4-hydroxypyrrolidin-1-yl]methyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one
CID 136600959
(3R,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-4-ethylpyrrolidin-3-ol
CID 122691781

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(3-ethylsulfanylpropyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(3-ethylsulfanylpropyl)pyrrolidin-3-ol (CID 159562065) is (3R,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(3-ethylsulfanylpropyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(3-ethylsulfanylpropyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(3-ethylsulfanylpropyl)pyrrolidin-3-ol is CCSCCC[C@H]1CN(CC2=CCc3c(N)ncnc32)C[C@@H]1O.
What is the InChIKey of (3R,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(3-ethylsulfanylpropyl)pyrrolidin-3-ol?
The InChIKey is FLNHCGVEAFQKNP-WFASDCNBSA-N. The full InChI is InChI=1S/C17H26N4OS/c1-2-23-7-3-4-12-8-21(10-15(12)22)9-13-5-6-14-16(13)19-11-20-17(14)18/h5,11-12,15,22H,2-4,6-10H2,1H3,(H2,18,19,20)/t12-,15-/m0/s1.
What are the key properties of (3R,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(3-ethylsulfanylpropyl)pyrrolidin-3-ol?
(3R,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(3-ethylsulfanylpropyl)pyrrolidin-3-ol has a molecular weight of 334.49 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(3-ethylsulfanylpropyl)pyrrolidin-3-ol is sourced from PubChem (CID 159562065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).