2-butyl-7-[6-(4-fluoropiperidin-1-yl)hexyl]-5H-cyclopenta[d]pyrimidin-4-amine

C22H35FN4 — CID 146877597

IUPAC2-butyl-7-[6-(4-fluoropiperidin-1-yl)hexyl]-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCCCc1nc(N)c2c(n1)C(CCCCCCN1CCC(F)CC1)=CC2
InChIInChI=1S/C22H35FN4/c1-2-3-9-20-25-21-17(10-11-19(21)22(24)26-20)8-6-4-5-7-14-27-15-12-18(23)13-16-27/h10,18H,2-9,11-16H2,1H3,(H2,24,25,26)
InChIKeySQVCDXISPBTFAW-UHFFFAOYSA-N
MW374.55 g/mol
LogP4.73
Rot. Bonds10

About 2-butyl-7-[6-(4-fluoropiperidin-1-yl)hexyl]-5H-cyclopenta[d]pyrimidin-4-amine

2-butyl-7-[6-(4-fluoropiperidin-1-yl)hexyl]-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 146877597) has the molecular formula C22H35FN4 and a molecular weight of 374.55 g/mol. Its IUPAC name is 2-butyl-7-[6-(4-fluoropiperidin-1-yl)hexyl]-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-butyl-7-[6-(4-fluoropiperidin-1-yl)hexyl]-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID146877597
Molecular FormulaC22H35FN4
Molecular Weight374.55 g/mol
Exact Mass374.28
IUPAC Name2-butyl-7-[6-(4-fluoropiperidin-1-yl)hexyl]-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCCCc1nc(N)c2c(n1)C(CCCCCCN1CCC(F)CC1)=CC2
InChIInChI=1S/C22H35FN4/c1-2-3-9-20-25-21-17(10-11-19(21)22(24)26-20)8-6-4-5-7-14-27-15-12-18(23)13-16-27/h10,18H,2-9,11-16H2,1H3,(H2,24,25,26)
InChIKeySQVCDXISPBTFAW-UHFFFAOYSA-N
XLogP4.73
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 54.73
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-[6-(4-fluoropiperidin-1-yl)hexyl]-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

4-piperidin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine
CID 23583650
5,7-dihexyl-5-methyl-6H-quinazolin-4-amine
CID 44449131
N-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-(1-piperidyl)pyrimidin-4-amine
CID 118722365
N4-benzyl-5-hexyl-6-methyl-N2-octyl-pyrimidine-2,4-diamine
CID 5276775
4-N-[2-(4-fluorophenyl)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 47376906
4-Cyclohex-1-en-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 77093590
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-4-(5-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 68267180
4-(4,5-difluorocyclohexa-1,3-dien-1-yl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 68267199
4-(4-chloro-5-fluorocyclohexa-1,3-dien-1-yl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 68267252
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
4-(4-chlorocyclohexa-1,3-dien-1-yl)-2-(4-fluoropiperidin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 68267454
5-(4-Fluorophenyl)-4-(3-methylpiperidin-1-yl)-6-propylpyrimidin-2-amine
CID 121292709

Frequently Asked Questions

What is the IUPAC name of 2-butyl-7-[6-(4-fluoropiperidin-1-yl)hexyl]-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-butyl-7-[6-(4-fluoropiperidin-1-yl)hexyl]-5H-cyclopenta[d]pyrimidin-4-amine (CID 146877597) is 2-butyl-7-[6-(4-fluoropiperidin-1-yl)hexyl]-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-butyl-7-[6-(4-fluoropiperidin-1-yl)hexyl]-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-butyl-7-[6-(4-fluoropiperidin-1-yl)hexyl]-5H-cyclopenta[d]pyrimidin-4-amine is CCCCc1nc(N)c2c(n1)C(CCCCCCN1CCC(F)CC1)=CC2.
What is the InChIKey of 2-butyl-7-[6-(4-fluoropiperidin-1-yl)hexyl]-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is SQVCDXISPBTFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35FN4/c1-2-3-9-20-25-21-17(10-11-19(21)22(24)26-20)8-6-4-5-7-14-27-15-12-18(23)13-16-27/h10,18H,2-9,11-16H2,1H3,(H2,24,25,26).
What are the key properties of 2-butyl-7-[6-(4-fluoropiperidin-1-yl)hexyl]-5H-cyclopenta[d]pyrimidin-4-amine?
2-butyl-7-[6-(4-fluoropiperidin-1-yl)hexyl]-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 374.55 g/mol, XLogP of 4.73, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-7-[6-(4-fluoropiperidin-1-yl)hexyl]-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 146877597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).