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

C24H25FN4O2 — CID 90634472

IUPAC1-benzhydryl-3-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]urea
SMILESO=C(NC1CCC(Oc2ncc(F)cn2)CC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25FN4O2/c25-19-15-26-24(27-16-19)31-21-13-11-20(12-14-21)28-23(30)29-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16,20-22H,11-14H2,(H2,28,29,30)
InChIKeyVRXIRBXVAYJHDK-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.39
Rot. Bonds6

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

1-benzhydryl-3-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]urea (PubChem CID 90634472) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 1-benzhydryl-3-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]urea.

Molecular Properties

Compound Name1-benzhydryl-3-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]urea
PubChem CID90634472
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name1-benzhydryl-3-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]urea
SMILESO=C(NC1CCC(Oc2ncc(F)cn2)CC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25FN4O2/c25-19-15-26-24(27-16-19)31-21-13-11-20(12-14-21)28-23(30)29-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16,20-22H,11-14H2,(H2,28,29,30)
InChIKeyVRXIRBXVAYJHDK-UHFFFAOYSA-N
XLogP4.39
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propan-2-ylurea
CID 90634473
1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 90634468
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide
CID 91626381
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
2-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634210
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-phenylphenoxy)acetamide
CID 90634353
2-(2-fluorophenoxy)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90634253
4-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide
CID 90634187
1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea
CID 90633954
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3,4-dihydro-1H-isochromene-3-carboxamide
CID 90634419
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide
CID 91626438

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]urea?
The IUPAC name of 1-benzhydryl-3-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]urea (CID 90634472) is 1-benzhydryl-3-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]urea.
What is the SMILES notation for 1-benzhydryl-3-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]urea?
The canonical SMILES for 1-benzhydryl-3-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]urea is O=C(NC1CCC(Oc2ncc(F)cn2)CC1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]urea?
The InChIKey is VRXIRBXVAYJHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c25-19-15-26-24(27-16-19)31-21-13-11-20(12-14-21)28-23(30)29-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16,20-22H,11-14H2,(H2,28,29,30).
What are the key properties of 1-benzhydryl-3-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]urea?
1-benzhydryl-3-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]urea has a molecular weight of 420.49 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]urea is sourced from PubChem (CID 90634472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).