(3S)-1-[5-(4-amino-2-butyl-5H-cyclopenta[d]pyrimidin-7-yl)pentyl]pyrrolidin-3-ol

C20H32N4O — CID 147064905

IUPAC(3S)-1-[5-(4-amino-2-butyl-5H-cyclopenta[d]pyrimidin-7-yl)pentyl]pyrrolidin-3-ol
SMILESCCCCc1nc(N)c2c(n1)C(CCCCCN1CC[C@H](O)C1)=CC2
InChIInChI=1S/C20H32N4O/c1-2-3-8-18-22-19-15(9-10-17(19)20(21)23-18)7-5-4-6-12-24-13-11-16(25)14-24/h9,16,25H,2-8,10-14H2,1H3,(H2,21,22,23)/t16-/m0/s1
InChIKeyBDWVEYJTMPULJZ-INIZCTEOSA-N
MW344.50 g/mol
LogP2.97
Rot. Bonds9

About (3S)-1-[5-(4-amino-2-butyl-5H-cyclopenta[d]pyrimidin-7-yl)pentyl]pyrrolidin-3-ol

(3S)-1-[5-(4-amino-2-butyl-5H-cyclopenta[d]pyrimidin-7-yl)pentyl]pyrrolidin-3-ol (PubChem CID 147064905) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is (3S)-1-[5-(4-amino-2-butyl-5H-cyclopenta[d]pyrimidin-7-yl)pentyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[5-(4-amino-2-butyl-5H-cyclopenta[d]pyrimidin-7-yl)pentyl]pyrrolidin-3-ol
PubChem CID147064905
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name(3S)-1-[5-(4-amino-2-butyl-5H-cyclopenta[d]pyrimidin-7-yl)pentyl]pyrrolidin-3-ol
SMILESCCCCc1nc(N)c2c(n1)C(CCCCCN1CC[C@H](O)C1)=CC2
InChIInChI=1S/C20H32N4O/c1-2-3-8-18-22-19-15(9-10-17(19)20(21)23-18)7-5-4-6-12-24-13-11-16(25)14-24/h9,16,25H,2-8,10-14H2,1H3,(H2,21,22,23)/t16-/m0/s1
InChIKeyBDWVEYJTMPULJZ-INIZCTEOSA-N
XLogP2.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3S)-1-[5-(4-amino-2-butyl-5H-cyclopenta[d]pyrimidin-7-yl)pentyl]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

2-butyl-7-[6-[(3R)-3-fluoropyrrolidin-1-yl]hexyl]-5H-cyclopenta[d]pyrimidin-4-amine
CID 147050962
2-butyl-7-[5-[(3S)-3-fluoropyrrolidin-1-yl]pentyl]-5H-cyclopenta[d]pyrimidin-4-amine
CID 149039299
2-butyl-7-[6-[(3S)-3-fluoropyrrolidin-1-yl]hexyl]-5H-cyclopenta[d]pyrimidin-4-amine
CID 157295458
2-butyl-7-[5-[(3S)-3-fluoropyrrolidin-1-yl]pentyl]-6-methyl-5H-cyclopenta[d]pyrimidin-4-amine
CID 158550881
2-butyl-7-[5-[(3R)-3-fluoropyrrolidin-1-yl]pentyl]-6-methyl-5H-cyclopenta[d]pyrimidin-4-amine
CID 158550882
7-[5-(4-fluoropiperidin-1-yl)pentyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine
CID 158964925
2-butyl-7-[5-[(3R)-3-fluoropyrrolidin-1-yl]pentyl]-5H-cyclopenta[d]pyrimidin-4-amine
CID 160416360
7-[5-[(3S)-3-fluoropyrrolidin-1-yl]pentyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine
CID 160452992
7-[5-[(3R)-3-fluoropyrrolidin-1-yl]pentyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine
CID 160452994
(2R,3R)-2-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl-methylamino]pentane-1,3-diol
CID 58158406
(3S,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol
CID 58230413
(3S,4S)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol
CID 58230420

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[5-(4-amino-2-butyl-5H-cyclopenta[d]pyrimidin-7-yl)pentyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[5-(4-amino-2-butyl-5H-cyclopenta[d]pyrimidin-7-yl)pentyl]pyrrolidin-3-ol (CID 147064905) is (3S)-1-[5-(4-amino-2-butyl-5H-cyclopenta[d]pyrimidin-7-yl)pentyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[5-(4-amino-2-butyl-5H-cyclopenta[d]pyrimidin-7-yl)pentyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[5-(4-amino-2-butyl-5H-cyclopenta[d]pyrimidin-7-yl)pentyl]pyrrolidin-3-ol is CCCCc1nc(N)c2c(n1)C(CCCCCN1CC[C@H](O)C1)=CC2.
What is the InChIKey of (3S)-1-[5-(4-amino-2-butyl-5H-cyclopenta[d]pyrimidin-7-yl)pentyl]pyrrolidin-3-ol?
The InChIKey is BDWVEYJTMPULJZ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H32N4O/c1-2-3-8-18-22-19-15(9-10-17(19)20(21)23-18)7-5-4-6-12-24-13-11-16(25)14-24/h9,16,25H,2-8,10-14H2,1H3,(H2,21,22,23)/t16-/m0/s1.
What are the key properties of (3S)-1-[5-(4-amino-2-butyl-5H-cyclopenta[d]pyrimidin-7-yl)pentyl]pyrrolidin-3-ol?
(3S)-1-[5-(4-amino-2-butyl-5H-cyclopenta[d]pyrimidin-7-yl)pentyl]pyrrolidin-3-ol has a molecular weight of 344.50 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[5-(4-amino-2-butyl-5H-cyclopenta[d]pyrimidin-7-yl)pentyl]pyrrolidin-3-ol is sourced from PubChem (CID 147064905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).