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

C20H31FN4 — CID 149039299

IUPAC2-butyl-7-[5-[(3S)-3-fluoropyrrolidin-1-yl]pentyl]-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCCCc1nc(N)c2c(n1)C(CCCCCN1CC[C@H](F)C1)=CC2
InChIInChI=1S/C20H31FN4/c1-2-3-8-18-23-19-15(9-10-17(19)20(22)24-18)7-5-4-6-12-25-13-11-16(21)14-25/h9,16H,2-8,10-14H2,1H3,(H2,22,23,24)/t16-/m0/s1
InChIKeyQHGGXWRPIAWQRM-INIZCTEOSA-N
MW346.49 g/mol
LogP3.95
Rot. Bonds9

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

2-butyl-7-[5-[(3S)-3-fluoropyrrolidin-1-yl]pentyl]-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 149039299) has the molecular formula C20H31FN4 and a molecular weight of 346.49 g/mol. Its IUPAC name is 2-butyl-7-[5-[(3S)-3-fluoropyrrolidin-1-yl]pentyl]-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-butyl-7-[5-[(3S)-3-fluoropyrrolidin-1-yl]pentyl]-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID149039299
Molecular FormulaC20H31FN4
Molecular Weight346.49 g/mol
Exact Mass346.25
IUPAC Name2-butyl-7-[5-[(3S)-3-fluoropyrrolidin-1-yl]pentyl]-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCCCc1nc(N)c2c(n1)C(CCCCCN1CC[C@H](F)C1)=CC2
InChIInChI=1S/C20H31FN4/c1-2-3-8-18-23-19-15(9-10-17(19)20(22)24-18)7-5-4-6-12-25-13-11-16(21)14-25/h9,16H,2-8,10-14H2,1H3,(H2,22,23,24)/t16-/m0/s1
InChIKeyQHGGXWRPIAWQRM-INIZCTEOSA-N
XLogP3.95
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

5-hexyl-4-methyl-N-phenyl-6-pyrrolidin-1-yl-pyrimidin-2-amine
CID 5276753
5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-yl-pyrimidin-2-amine
CID 5276767
5-hexyl-4-methyl-N-octyl-6-pyrrolidin-1-yl-pyrimidin-2-amine
CID 5276774
2-benzyl-4-(3-fluoropyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 59312263
2-(4-fluoropiperidin-1-yl)-4-(4-methylcyclohexa-1,3-dien-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 68267453
5-(4-Fluorophenyl)-4-propyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 121332329
8-ethyl-6-(4-fluorophenyl)-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141182790
8-ethyl-6-(2-fluorophenyl)-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141182791
8-ethyl-6-(3-fluorophenyl)-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141182802
2-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-4-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 145481605
2-butyl-7-[6-(4-fluoropiperidin-1-yl)hexyl]-5H-cyclopenta[d]pyrimidin-4-amine
CID 146877597
2-butyl-7-[6-[(3R)-3-fluoropyrrolidin-1-yl]hexyl]-5H-cyclopenta[d]pyrimidin-4-amine
CID 147050962

Frequently Asked Questions

What is the IUPAC name of 2-butyl-7-[5-[(3S)-3-fluoropyrrolidin-1-yl]pentyl]-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-butyl-7-[5-[(3S)-3-fluoropyrrolidin-1-yl]pentyl]-5H-cyclopenta[d]pyrimidin-4-amine (CID 149039299) is 2-butyl-7-[5-[(3S)-3-fluoropyrrolidin-1-yl]pentyl]-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-butyl-7-[5-[(3S)-3-fluoropyrrolidin-1-yl]pentyl]-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-butyl-7-[5-[(3S)-3-fluoropyrrolidin-1-yl]pentyl]-5H-cyclopenta[d]pyrimidin-4-amine is CCCCc1nc(N)c2c(n1)C(CCCCCN1CC[C@H](F)C1)=CC2.
What is the InChIKey of 2-butyl-7-[5-[(3S)-3-fluoropyrrolidin-1-yl]pentyl]-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is QHGGXWRPIAWQRM-INIZCTEOSA-N. The full InChI is InChI=1S/C20H31FN4/c1-2-3-8-18-23-19-15(9-10-17(19)20(22)24-18)7-5-4-6-12-25-13-11-16(21)14-25/h9,16H,2-8,10-14H2,1H3,(H2,22,23,24)/t16-/m0/s1.
What are the key properties of 2-butyl-7-[5-[(3S)-3-fluoropyrrolidin-1-yl]pentyl]-5H-cyclopenta[d]pyrimidin-4-amine?
2-butyl-7-[5-[(3S)-3-fluoropyrrolidin-1-yl]pentyl]-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 346.49 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-7-[5-[(3S)-3-fluoropyrrolidin-1-yl]pentyl]-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 149039299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).