1-naphthalen-1-yl-3-(4-pyrimidin-2-yloxycyclohexyl)urea

C21H22N4O2 — CID 90633505

IUPAC1-naphthalen-1-yl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
SMILESO=C(Nc1cccc2ccccc12)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C21H22N4O2/c26-20(25-19-8-3-6-15-5-1-2-7-18(15)19)24-16-9-11-17(12-10-16)27-21-22-13-4-14-23-21/h1-8,13-14,16-17H,9-12H2,(H2,24,25,26)
InChIKeyGVPWYRRLYNRWPL-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.14
Rot. Bonds4

About 1-naphthalen-1-yl-3-(4-pyrimidin-2-yloxycyclohexyl)urea

1-naphthalen-1-yl-3-(4-pyrimidin-2-yloxycyclohexyl)urea (PubChem CID 90633505) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-(4-pyrimidin-2-yloxycyclohexyl)urea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
PubChem CID90633505
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-naphthalen-1-yl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
SMILESO=C(Nc1cccc2ccccc12)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C21H22N4O2/c26-20(25-19-8-3-6-15-5-1-2-7-18(15)19)24-16-9-11-17(12-10-16)27-21-22-13-4-14-23-21/h1-8,13-14,16-17H,9-12H2,(H2,24,25,26)
InChIKeyGVPWYRRLYNRWPL-UHFFFAOYSA-N
XLogP4.14
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-naphthalen-1-ylurea
CID 90634481
1-naphthalen-1-yl-3-piperidin-4-ylurea
CID 16790595
1-(3-methylphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633469
1-(4-ethoxyphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633477
1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633499
1-(3,4-dichlorophenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633471
1-(2-phenylethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 91626320
N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide
CID 90633284
1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 90634468
2-naphthalen-2-yloxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633295
1-naphthalen-1-yl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049579
1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea
CID 90633954

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-(4-pyrimidin-2-yloxycyclohexyl)urea?
The IUPAC name of 1-naphthalen-1-yl-3-(4-pyrimidin-2-yloxycyclohexyl)urea (CID 90633505) is 1-naphthalen-1-yl-3-(4-pyrimidin-2-yloxycyclohexyl)urea.
What is the SMILES notation for 1-naphthalen-1-yl-3-(4-pyrimidin-2-yloxycyclohexyl)urea?
The canonical SMILES for 1-naphthalen-1-yl-3-(4-pyrimidin-2-yloxycyclohexyl)urea is O=C(Nc1cccc2ccccc12)NC1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 1-naphthalen-1-yl-3-(4-pyrimidin-2-yloxycyclohexyl)urea?
The InChIKey is GVPWYRRLYNRWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-20(25-19-8-3-6-15-5-1-2-7-18(15)19)24-16-9-11-17(12-10-16)27-21-22-13-4-14-23-21/h1-8,13-14,16-17H,9-12H2,(H2,24,25,26).
What are the key properties of 1-naphthalen-1-yl-3-(4-pyrimidin-2-yloxycyclohexyl)urea?
1-naphthalen-1-yl-3-(4-pyrimidin-2-yloxycyclohexyl)urea has a molecular weight of 362.43 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-(4-pyrimidin-2-yloxycyclohexyl)urea is sourced from PubChem (CID 90633505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).