1-(5-fluoropyrimidin-2-yl)-1-[(4-phenylcyclohexyl)methyl]urea

C18H21FN4O — CID 170237635

IUPAC1-(5-fluoropyrimidin-2-yl)-1-[(4-phenylcyclohexyl)methyl]urea
SMILESNC(=O)N(CC1CCC(c2ccccc2)CC1)c1ncc(F)cn1
InChIInChI=1S/C18H21FN4O/c19-16-10-21-18(22-11-16)23(17(20)24)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-5,10-11,13,15H,6-9,12H2,(H2,20,24)
InChIKeyLJEHSRMSYJGWNN-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.47
Rot. Bonds4

About 1-(5-fluoropyrimidin-2-yl)-1-[(4-phenylcyclohexyl)methyl]urea

1-(5-fluoropyrimidin-2-yl)-1-[(4-phenylcyclohexyl)methyl]urea (PubChem CID 170237635) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)-1-[(4-phenylcyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)-1-[(4-phenylcyclohexyl)methyl]urea
PubChem CID170237635
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name1-(5-fluoropyrimidin-2-yl)-1-[(4-phenylcyclohexyl)methyl]urea
SMILESNC(=O)N(CC1CCC(c2ccccc2)CC1)c1ncc(F)cn1
InChIInChI=1S/C18H21FN4O/c19-16-10-21-18(22-11-16)23(17(20)24)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-5,10-11,13,15H,6-9,12H2,(H2,20,24)
InChIKeyLJEHSRMSYJGWNN-UHFFFAOYSA-N
XLogP3.47
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)-1-[(4-phenylcyclohexyl)methyl]urea?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)-1-[(4-phenylcyclohexyl)methyl]urea (CID 170237635) is 1-(5-fluoropyrimidin-2-yl)-1-[(4-phenylcyclohexyl)methyl]urea.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)-1-[(4-phenylcyclohexyl)methyl]urea?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)-1-[(4-phenylcyclohexyl)methyl]urea is NC(=O)N(CC1CCC(c2ccccc2)CC1)c1ncc(F)cn1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)-1-[(4-phenylcyclohexyl)methyl]urea?
The InChIKey is LJEHSRMSYJGWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-16-10-21-18(22-11-16)23(17(20)24)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-5,10-11,13,15H,6-9,12H2,(H2,20,24).
What are the key properties of 1-(5-fluoropyrimidin-2-yl)-1-[(4-phenylcyclohexyl)methyl]urea?
1-(5-fluoropyrimidin-2-yl)-1-[(4-phenylcyclohexyl)methyl]urea has a molecular weight of 328.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)-1-[(4-phenylcyclohexyl)methyl]urea is sourced from PubChem (CID 170237635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).