1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)urea

C19H23FN4O2 — CID 90634951

IUPAC1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)urea
SMILESCc1cc(C)nc(OC2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C19H23FN4O2/c1-12-11-13(2)22-19(21-12)26-17-9-7-16(8-10-17)24-18(25)23-15-5-3-14(20)4-6-15/h3-6,11,16-17H,7-10H2,1-2H3,(H2,23,24,25)
InChIKeyOCKYPAKSBKJMSP-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.74
Rot. Bonds4

About 1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)urea

1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)urea (PubChem CID 90634951) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)urea
PubChem CID90634951
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)urea
SMILESCc1cc(C)nc(OC2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C19H23FN4O2/c1-12-11-13(2)22-19(21-12)26-17-9-7-16(8-10-17)24-18(25)23-15-5-3-14(20)4-6-15/h3-6,11,16-17H,7-10H2,1-2H3,(H2,23,24,25)
InChIKeyOCKYPAKSBKJMSP-UHFFFAOYSA-N
XLogP3.74
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
(E)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]but-2-enamide
CID 90634657
ethyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]carbamate
CID 90634770
methyl 4-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylate
CID 115616958
1-[4-(4-acetylphenoxy)cyclohexyl]-3-(4-fluorophenyl)urea;1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea
CID 162127990
3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea
CID 90634997
1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(3-phenylpropyl)urea
CID 90634987
1-(4-ethoxyphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633477
1-(3-methylphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633469
1-(4-fluorophenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 24651175
1-(2,6-dimethylphenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea
CID 11610101
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide
CID 90634754

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)urea (CID 90634951) is 1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)urea is Cc1cc(C)nc(OC2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)urea?
The InChIKey is OCKYPAKSBKJMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-12-11-13(2)22-19(21-12)26-17-9-7-16(8-10-17)24-18(25)23-15-5-3-14(20)4-6-15/h3-6,11,16-17H,7-10H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)urea?
1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)urea has a molecular weight of 358.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 90634951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).