1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propylurea

C14H21FN4O2 — CID 91626434

IUPAC1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propylurea
SMILESCCCNC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C14H21FN4O2/c1-2-7-16-13(20)19-11-3-5-12(6-4-11)21-14-17-8-10(15)9-18-14/h8-9,11-12H,2-7H2,1H3,(H2,16,19,20)
InChIKeyZNAMONSJXHAKKX-UHFFFAOYSA-N
MW296.35 g/mol
LogP2.01
Rot. Bonds5

About 1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propylurea

1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propylurea (PubChem CID 91626434) has the molecular formula C14H21FN4O2 and a molecular weight of 296.35 g/mol. Its IUPAC name is 1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propylurea.

Molecular Properties

Compound Name1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propylurea
PubChem CID91626434
Molecular FormulaC14H21FN4O2
Molecular Weight296.35 g/mol
Exact Mass296.16
IUPAC Name1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propylurea
SMILESCCCNC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C14H21FN4O2/c1-2-7-16-13(20)19-11-3-5-12(6-4-11)21-14-17-8-10(15)9-18-14/h8-9,11-12H,2-7H2,1H3,(H2,16,19,20)
InChIKeyZNAMONSJXHAKKX-UHFFFAOYSA-N
XLogP2.01
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propylurea?
The IUPAC name of 1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propylurea (CID 91626434) is 1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propylurea.
What is the SMILES notation for 1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propylurea?
The canonical SMILES for 1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propylurea is CCCNC(=O)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of 1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propylurea?
The InChIKey is ZNAMONSJXHAKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O2/c1-2-7-16-13(20)19-11-3-5-12(6-4-11)21-14-17-8-10(15)9-18-14/h8-9,11-12H,2-7H2,1H3,(H2,16,19,20).
What are the key properties of 1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propylurea?
1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propylurea has a molecular weight of 296.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propylurea is sourced from PubChem (CID 91626434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).