(3,3-difluorocyclopentyl) N-(2-methylpyrimidin-5-yl)carbamate

C11H13F2N3O2 — CID 145443530

IUPAC(3,3-difluorocyclopentyl) N-(2-methylpyrimidin-5-yl)carbamate
SMILESCc1ncc(NC(=O)OC2CCC(F)(F)C2)cn1
InChIInChI=1S/C11H13F2N3O2/c1-7-14-5-8(6-15-7)16-10(17)18-9-2-3-11(12,13)4-9/h5-6,9H,2-4H2,1H3,(H,16,17)
InChIKeyQXZGPVMMXUPFCI-UHFFFAOYSA-N
MW257.24 g/mol
LogP2.52
Rot. Bonds2

About (3,3-difluorocyclopentyl) N-(2-methylpyrimidin-5-yl)carbamate

(3,3-difluorocyclopentyl) N-(2-methylpyrimidin-5-yl)carbamate (PubChem CID 145443530) has the molecular formula C11H13F2N3O2 and a molecular weight of 257.24 g/mol. Its IUPAC name is (3,3-difluorocyclopentyl) N-(2-methylpyrimidin-5-yl)carbamate.

Molecular Properties

Compound Name(3,3-difluorocyclopentyl) N-(2-methylpyrimidin-5-yl)carbamate
PubChem CID145443530
Molecular FormulaC11H13F2N3O2
Molecular Weight257.24 g/mol
Exact Mass257.10
IUPAC Name(3,3-difluorocyclopentyl) N-(2-methylpyrimidin-5-yl)carbamate
SMILESCc1ncc(NC(=O)OC2CCC(F)(F)C2)cn1
InChIInChI=1S/C11H13F2N3O2/c1-7-14-5-8(6-15-7)16-10(17)18-9-2-3-11(12,13)4-9/h5-6,9H,2-4H2,1H3,(H,16,17)
InChIKeyQXZGPVMMXUPFCI-UHFFFAOYSA-N
XLogP2.52
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclopentyl) N-(2-methylpyrimidin-5-yl)carbamate?
The IUPAC name of (3,3-difluorocyclopentyl) N-(2-methylpyrimidin-5-yl)carbamate (CID 145443530) is (3,3-difluorocyclopentyl) N-(2-methylpyrimidin-5-yl)carbamate.
What is the SMILES notation for (3,3-difluorocyclopentyl) N-(2-methylpyrimidin-5-yl)carbamate?
The canonical SMILES for (3,3-difluorocyclopentyl) N-(2-methylpyrimidin-5-yl)carbamate is Cc1ncc(NC(=O)OC2CCC(F)(F)C2)cn1.
What is the InChIKey of (3,3-difluorocyclopentyl) N-(2-methylpyrimidin-5-yl)carbamate?
The InChIKey is QXZGPVMMXUPFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O2/c1-7-14-5-8(6-15-7)16-10(17)18-9-2-3-11(12,13)4-9/h5-6,9H,2-4H2,1H3,(H,16,17).
What are the key properties of (3,3-difluorocyclopentyl) N-(2-methylpyrimidin-5-yl)carbamate?
(3,3-difluorocyclopentyl) N-(2-methylpyrimidin-5-yl)carbamate has a molecular weight of 257.24 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclopentyl) N-(2-methylpyrimidin-5-yl)carbamate is sourced from PubChem (CID 145443530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).