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

C20H31FN4O — CID 158964925

IUPAC7-[5-(4-fluoropiperidin-1-yl)pentyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCOCCc1nc(N)c2c(n1)C(CCCCCN1CCC(F)CC1)=CC2
InChIInChI=1S/C20H31FN4O/c1-26-14-10-18-23-19-15(6-7-17(19)20(22)24-18)5-3-2-4-11-25-12-8-16(21)9-13-25/h6,16H,2-5,7-14H2,1H3,(H2,22,23,24)
InChIKeyJNBSXPGCHLXBGH-UHFFFAOYSA-N
MW362.49 g/mol
LogP3.18
Rot. Bonds9

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

7-[5-(4-fluoropiperidin-1-yl)pentyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 158964925) has the molecular formula C20H31FN4O and a molecular weight of 362.49 g/mol. Its IUPAC name is 7-[5-(4-fluoropiperidin-1-yl)pentyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[5-(4-fluoropiperidin-1-yl)pentyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID158964925
Molecular FormulaC20H31FN4O
Molecular Weight362.49 g/mol
Exact Mass362.25
IUPAC Name7-[5-(4-fluoropiperidin-1-yl)pentyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCOCCc1nc(N)c2c(n1)C(CCCCCN1CCC(F)CC1)=CC2
InChIInChI=1S/C20H31FN4O/c1-26-14-10-18-23-19-15(6-7-17(19)20(22)24-18)5-3-2-4-11-25-12-8-16(21)9-13-25/h6,16H,2-5,7-14H2,1H3,(H2,22,23,24)
InChIKeyJNBSXPGCHLXBGH-UHFFFAOYSA-N
XLogP3.18
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-4-[4-(5-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-yl]-3-methylmorpholine
CID 68267251
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
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
2-butyl-7-[5-[(3S)-3-fluoropyrrolidin-1-yl]pentyl]-5H-cyclopenta[d]pyrimidin-4-amine
CID 149039299
2-butyl-7-[5-(4-fluoropiperidin-1-yl)pentyl]-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 157181017
2-butyl-7-[6-[(3S)-3-fluoropyrrolidin-1-yl]hexyl]-5H-cyclopenta[d]pyrimidin-4-amine
CID 157295458
2-butoxy-7-[[4-[(3-fluoropyrrolidin-1-yl)methyl]phenyl]methyl]-5H-cyclopenta[d]pyrimidin-4-amine
CID 157992887
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
2-butyl-7-[5-(4-fluoropiperidin-1-yl)pentyl]-5H-cyclopenta[d]pyrimidin-4-amine
CID 158560900
2-butyl-7-[5-(4,4-difluoropiperidin-1-yl)pentyl]-5H-cyclopenta[d]pyrimidin-4-amine
CID 159133572

Frequently Asked Questions

What is the IUPAC name of 7-[5-(4-fluoropiperidin-1-yl)pentyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 7-[5-(4-fluoropiperidin-1-yl)pentyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine (CID 158964925) is 7-[5-(4-fluoropiperidin-1-yl)pentyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 7-[5-(4-fluoropiperidin-1-yl)pentyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 7-[5-(4-fluoropiperidin-1-yl)pentyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine is COCCc1nc(N)c2c(n1)C(CCCCCN1CCC(F)CC1)=CC2.
What is the InChIKey of 7-[5-(4-fluoropiperidin-1-yl)pentyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is JNBSXPGCHLXBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN4O/c1-26-14-10-18-23-19-15(6-7-17(19)20(22)24-18)5-3-2-4-11-25-12-8-16(21)9-13-25/h6,16H,2-5,7-14H2,1H3,(H2,22,23,24).
What are the key properties of 7-[5-(4-fluoropiperidin-1-yl)pentyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine?
7-[5-(4-fluoropiperidin-1-yl)pentyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 362.49 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(4-fluoropiperidin-1-yl)pentyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 158964925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).