1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxamide

C11H15FN4O2 — CID 137340576

IUPAC1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxamide
SMILESCOc1nc(NC2(C(N)=O)CCCC2)ncc1F
InChIInChI=1S/C11H15FN4O2/c1-18-8-7(12)6-14-10(15-8)16-11(9(13)17)4-2-3-5-11/h6H,2-5H2,1H3,(H2,13,17)(H,14,15,16)
InChIKeyIRMBZOXVMUDTPV-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.83
Rot. Bonds4

About 1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxamide

1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxamide (PubChem CID 137340576) has the molecular formula C11H15FN4O2 and a molecular weight of 254.26 g/mol. Its IUPAC name is 1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxamide
PubChem CID137340576
Molecular FormulaC11H15FN4O2
Molecular Weight254.26 g/mol
Exact Mass254.12
IUPAC Name1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxamide
SMILESCOc1nc(NC2(C(N)=O)CCCC2)ncc1F
InChIInChI=1S/C11H15FN4O2/c1-18-8-7(12)6-14-10(15-8)16-11(9(13)17)4-2-3-5-11/h6H,2-5H2,1H3,(H2,13,17)(H,14,15,16)
InChIKeyIRMBZOXVMUDTPV-UHFFFAOYSA-N
XLogP0.83
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxamide?
The IUPAC name of 1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxamide (CID 137340576) is 1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxamide is COc1nc(NC2(C(N)=O)CCCC2)ncc1F.
What is the InChIKey of 1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxamide?
The InChIKey is IRMBZOXVMUDTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O2/c1-18-8-7(12)6-14-10(15-8)16-11(9(13)17)4-2-3-5-11/h6H,2-5H2,1H3,(H2,13,17)(H,14,15,16).
What are the key properties of 1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxamide?
1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxamide has a molecular weight of 254.26 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 137340576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).