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

C21H33FN4 — CID 158560900

IUPAC2-butyl-7-[5-(4-fluoropiperidin-1-yl)pentyl]-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCCCc1nc(N)c2c(n1)C(CCCCCN1CCC(F)CC1)=CC2
InChIInChI=1S/C21H33FN4/c1-2-3-8-19-24-20-16(9-10-18(20)21(23)25-19)7-5-4-6-13-26-14-11-17(22)12-15-26/h9,17H,2-8,10-15H2,1H3,(H2,23,24,25)
InChIKeyHQWJIUMZEMZQKC-UHFFFAOYSA-N
MW360.52 g/mol
LogP4.34
Rot. Bonds9

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

2-butyl-7-[5-(4-fluoropiperidin-1-yl)pentyl]-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 158560900) has the molecular formula C21H33FN4 and a molecular weight of 360.52 g/mol. Its IUPAC name is 2-butyl-7-[5-(4-fluoropiperidin-1-yl)pentyl]-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-butyl-7-[5-(4-fluoropiperidin-1-yl)pentyl]-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID158560900
Molecular FormulaC21H33FN4
Molecular Weight360.52 g/mol
Exact Mass360.27
IUPAC Name2-butyl-7-[5-(4-fluoropiperidin-1-yl)pentyl]-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCCCc1nc(N)c2c(n1)C(CCCCCN1CCC(F)CC1)=CC2
InChIInChI=1S/C21H33FN4/c1-2-3-8-19-24-20-16(9-10-18(20)21(23)25-19)7-5-4-6-13-26-14-11-17(22)12-15-26/h9,17H,2-8,10-15H2,1H3,(H2,23,24,25)
InChIKeyHQWJIUMZEMZQKC-UHFFFAOYSA-N
XLogP4.34
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-[5-(4-fluoropiperidin-1-yl)pentyl]-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-butyl-7-[5-(4-fluoropiperidin-1-yl)pentyl]-5H-cyclopenta[d]pyrimidin-4-amine (CID 158560900) is 2-butyl-7-[5-(4-fluoropiperidin-1-yl)pentyl]-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-butyl-7-[5-(4-fluoropiperidin-1-yl)pentyl]-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-butyl-7-[5-(4-fluoropiperidin-1-yl)pentyl]-5H-cyclopenta[d]pyrimidin-4-amine is CCCCc1nc(N)c2c(n1)C(CCCCCN1CCC(F)CC1)=CC2.
What is the InChIKey of 2-butyl-7-[5-(4-fluoropiperidin-1-yl)pentyl]-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is HQWJIUMZEMZQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33FN4/c1-2-3-8-19-24-20-16(9-10-18(20)21(23)25-19)7-5-4-6-13-26-14-11-17(22)12-15-26/h9,17H,2-8,10-15H2,1H3,(H2,23,24,25).
What are the key properties of 2-butyl-7-[5-(4-fluoropiperidin-1-yl)pentyl]-5H-cyclopenta[d]pyrimidin-4-amine?
2-butyl-7-[5-(4-fluoropiperidin-1-yl)pentyl]-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 360.52 g/mol, XLogP of 4.34, 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-(4-fluoropiperidin-1-yl)pentyl]-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 158560900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).