4-(cyclopentylamino)-2-[2-(2-fluorophenyl)ethylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide

C25H33FN6O2 — CID 71552621

IUPAC4-(cyclopentylamino)-2-[2-(2-fluorophenyl)ethylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc(NCCc2ccccc2F)nc1NC1CCCC1
InChIInChI=1S/C25H33FN6O2/c26-21-10-4-1-7-18(21)12-14-28-25-29-17-20(23(31-25)30-19-8-2-3-9-19)24(34)27-13-6-16-32-15-5-11-22(32)33/h1,4,7,10,17,19H,2-3,5-6,8-9,11-16H2,(H,27,34)(H2,28,29,30,31)
InChIKeyKCWJVSFFMUAOGC-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.37
Rot. Bonds11

About 4-(cyclopentylamino)-2-[2-(2-fluorophenyl)ethylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide

4-(cyclopentylamino)-2-[2-(2-fluorophenyl)ethylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide (PubChem CID 71552621) has the molecular formula C25H33FN6O2 and a molecular weight of 468.58 g/mol. Its IUPAC name is 4-(cyclopentylamino)-2-[2-(2-fluorophenyl)ethylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclopentylamino)-2-[2-(2-fluorophenyl)ethylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
PubChem CID71552621
Molecular FormulaC25H33FN6O2
Molecular Weight468.58 g/mol
Exact Mass468.26
IUPAC Name4-(cyclopentylamino)-2-[2-(2-fluorophenyl)ethylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc(NCCc2ccccc2F)nc1NC1CCCC1
InChIInChI=1S/C25H33FN6O2/c26-21-10-4-1-7-18(21)12-14-28-25-29-17-20(23(31-25)30-19-8-2-3-9-19)24(34)27-13-6-16-32-15-5-11-22(32)33/h1,4,7,10,17,19H,2-3,5-6,8-9,11-16H2,(H,27,34)(H2,28,29,30,31)
InChIKeyKCWJVSFFMUAOGC-UHFFFAOYSA-N
XLogP3.37
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-2-[2-(2-fluorophenyl)ethylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-(cyclopentylamino)-2-[2-(2-fluorophenyl)ethylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide (CID 71552621) is 4-(cyclopentylamino)-2-[2-(2-fluorophenyl)ethylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(cyclopentylamino)-2-[2-(2-fluorophenyl)ethylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(cyclopentylamino)-2-[2-(2-fluorophenyl)ethylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide is O=C(NCCCN1CCCC1=O)c1cnc(NCCc2ccccc2F)nc1NC1CCCC1.
What is the InChIKey of 4-(cyclopentylamino)-2-[2-(2-fluorophenyl)ethylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide?
The InChIKey is KCWJVSFFMUAOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN6O2/c26-21-10-4-1-7-18(21)12-14-28-25-29-17-20(23(31-25)30-19-8-2-3-9-19)24(34)27-13-6-16-32-15-5-11-22(32)33/h1,4,7,10,17,19H,2-3,5-6,8-9,11-16H2,(H,27,34)(H2,28,29,30,31).
What are the key properties of 4-(cyclopentylamino)-2-[2-(2-fluorophenyl)ethylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide?
4-(cyclopentylamino)-2-[2-(2-fluorophenyl)ethylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 3.37, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-2-[2-(2-fluorophenyl)ethylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 71552621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).