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

C14H21FN4O2 — CID 90634473

IUPAC1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C14H21FN4O2/c1-9(2)18-13(20)19-11-3-5-12(6-4-11)21-14-16-7-10(15)8-17-14/h7-9,11-12H,3-6H2,1-2H3,(H2,18,19,20)
InChIKeyOHCVSUHUFPCTSP-UHFFFAOYSA-N
MW296.35 g/mol
LogP2.01
Rot. Bonds4

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

1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propan-2-ylurea (PubChem CID 90634473) 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-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propan-2-ylurea
PubChem CID90634473
Molecular FormulaC14H21FN4O2
Molecular Weight296.35 g/mol
Exact Mass296.16
IUPAC Name1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C14H21FN4O2/c1-9(2)18-13(20)19-11-3-5-12(6-4-11)21-14-16-7-10(15)8-17-14/h7-9,11-12H,3-6H2,1-2H3,(H2,18,19,20)
InChIKeyOHCVSUHUFPCTSP-UHFFFAOYSA-N
XLogP2.01
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

1-benzhydryl-3-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]urea
CID 90634472
2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 91626367
ethyl 2-[[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]amino]-2-oxoacetate
CID 90634183
4-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide
CID 90634187
1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 90634468
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]morpholine-4-carboxamide
CID 91626436
1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-naphthalen-1-ylurea
CID 90634481
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-2-carboxamide
CID 91626394
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-pyrrol-1-ylacetamide
CID 91626407
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyltriazole-4-carboxamide
CID 90634332
2-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634210
5-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]furan-2-carboxamide
CID 91626383

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propan-2-ylurea (CID 90634473) is 1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propan-2-ylurea is CC(C)NC(=O)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of 1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propan-2-ylurea?
The InChIKey is OHCVSUHUFPCTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O2/c1-9(2)18-13(20)19-11-3-5-12(6-4-11)21-14-16-7-10(15)8-17-14/h7-9,11-12H,3-6H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propan-2-ylurea?
1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propan-2-ylurea has a molecular weight of 296.35 g/mol, XLogP of 2.01, 4 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-propan-2-ylurea is sourced from PubChem (CID 90634473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).