1-(3,4-dichlorophenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea

C17H18Cl2N4O2 — CID 90633471

IUPAC1-(3,4-dichlorophenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C17H18Cl2N4O2/c18-14-7-4-12(10-15(14)19)23-16(24)22-11-2-5-13(6-3-11)25-17-20-8-1-9-21-17/h1,4,7-11,13H,2-3,5-6H2,(H2,22,23,24)
InChIKeyDNZHKVWHKPBBEY-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.30
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea

1-(3,4-dichlorophenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea (PubChem CID 90633471) has the molecular formula C17H18Cl2N4O2 and a molecular weight of 381.26 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
PubChem CID90633471
Molecular FormulaC17H18Cl2N4O2
Molecular Weight381.26 g/mol
Exact Mass380.08
IUPAC Name1-(3,4-dichlorophenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C17H18Cl2N4O2/c18-14-7-4-12(10-15(14)19)23-16(24)22-11-2-5-13(6-3-11)25-17-20-8-1-9-21-17/h1,4,7-11,13H,2-3,5-6H2,(H2,22,23,24)
InChIKeyDNZHKVWHKPBBEY-UHFFFAOYSA-N
XLogP4.30
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633469
1-(4-ethoxyphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633477
1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea
CID 90633954
1-(3,4-dichlorophenyl)-3-(4-oxocyclohexyl)urea
CID 43652933
1-(4-tert-butylphenyl)-3-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]urea
CID 90633974
1-naphthalen-1-yl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633505
1-(azepan-4-yl)-3-(3,4-dichlorophenyl)urea
CID 107172624
1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633499
2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626255
1-(3,4-dichlorophenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea
CID 9350005
1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220
N-cyclopropyl-N'-(3,4-dichlorophenyl)oxamide
CID 2193894

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea (CID 90633471) is 1-(3,4-dichlorophenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea is O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea?
The InChIKey is DNZHKVWHKPBBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O2/c18-14-7-4-12(10-15(14)19)23-16(24)22-11-2-5-13(6-3-11)25-17-20-8-1-9-21-17/h1,4,7-11,13H,2-3,5-6H2,(H2,22,23,24).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea?
1-(3,4-dichlorophenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea has a molecular weight of 381.26 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea is sourced from PubChem (CID 90633471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).