1-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-3-(2-ethylpyrimidin-5-yl)urea

C14H20F2N4O — CID 164639886

IUPAC1-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-3-(2-ethylpyrimidin-5-yl)urea
SMILESCCc1ncc(NC(=O)NCC[C@H]2CCC(F)(F)C2)cn1
InChIInChI=1S/C14H20F2N4O/c1-2-12-18-8-11(9-19-12)20-13(21)17-6-4-10-3-5-14(15,16)7-10/h8-10H,2-7H2,1H3,(H2,17,20,21)/t10-/m1/s1
InChIKeyOBWSBCCDHMEKLZ-SNVBAGLBSA-N
MW298.34 g/mol
LogP2.99
Rot. Bonds5

About 1-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-3-(2-ethylpyrimidin-5-yl)urea

1-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-3-(2-ethylpyrimidin-5-yl)urea (PubChem CID 164639886) has the molecular formula C14H20F2N4O and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-3-(2-ethylpyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-3-(2-ethylpyrimidin-5-yl)urea
PubChem CID164639886
Molecular FormulaC14H20F2N4O
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name1-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-3-(2-ethylpyrimidin-5-yl)urea
SMILESCCc1ncc(NC(=O)NCC[C@H]2CCC(F)(F)C2)cn1
InChIInChI=1S/C14H20F2N4O/c1-2-12-18-8-11(9-19-12)20-13(21)17-6-4-10-3-5-14(15,16)7-10/h8-10H,2-7H2,1H3,(H2,17,20,21)/t10-/m1/s1
InChIKeyOBWSBCCDHMEKLZ-SNVBAGLBSA-N
XLogP2.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-3-(2-ethylpyrimidin-5-yl)urea?
The IUPAC name of 1-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-3-(2-ethylpyrimidin-5-yl)urea (CID 164639886) is 1-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-3-(2-ethylpyrimidin-5-yl)urea.
What is the SMILES notation for 1-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-3-(2-ethylpyrimidin-5-yl)urea?
The canonical SMILES for 1-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-3-(2-ethylpyrimidin-5-yl)urea is CCc1ncc(NC(=O)NCC[C@H]2CCC(F)(F)C2)cn1.
What is the InChIKey of 1-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-3-(2-ethylpyrimidin-5-yl)urea?
The InChIKey is OBWSBCCDHMEKLZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20F2N4O/c1-2-12-18-8-11(9-19-12)20-13(21)17-6-4-10-3-5-14(15,16)7-10/h8-10H,2-7H2,1H3,(H2,17,20,21)/t10-/m1/s1.
What are the key properties of 1-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-3-(2-ethylpyrimidin-5-yl)urea?
1-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-3-(2-ethylpyrimidin-5-yl)urea has a molecular weight of 298.34 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-3-(2-ethylpyrimidin-5-yl)urea is sourced from PubChem (CID 164639886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).