1-(2-cyclohexylcyclopropyl)-3-[4-(2,6-dimethylpyrimidin-4-yl)oxynaphthalen-1-yl]urea

C26H30N4O2 — CID 10202991

IUPAC1-(2-cyclohexylcyclopropyl)-3-[4-(2,6-dimethylpyrimidin-4-yl)oxynaphthalen-1-yl]urea
SMILESCc1cc(Oc2ccc(NC(=O)NC3CC3C3CCCCC3)c3ccccc23)nc(C)n1
InChIInChI=1S/C26H30N4O2/c1-16-14-25(28-17(2)27-16)32-24-13-12-22(19-10-6-7-11-20(19)24)29-26(31)30-23-15-21(23)18-8-4-3-5-9-18/h6-7,10-14,18,21,23H,3-5,8-9,15H2,1-2H3,(H2,29,30,31)
InChIKeyUSWZBIQWDUXAIZ-UHFFFAOYSA-N
MW430.55 g/mol
LogP6.13
Rot. Bonds5

About 1-(2-cyclohexylcyclopropyl)-3-[4-(2,6-dimethylpyrimidin-4-yl)oxynaphthalen-1-yl]urea

1-(2-cyclohexylcyclopropyl)-3-[4-(2,6-dimethylpyrimidin-4-yl)oxynaphthalen-1-yl]urea (PubChem CID 10202991) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-(2-cyclohexylcyclopropyl)-3-[4-(2,6-dimethylpyrimidin-4-yl)oxynaphthalen-1-yl]urea.

Molecular Properties

Compound Name1-(2-cyclohexylcyclopropyl)-3-[4-(2,6-dimethylpyrimidin-4-yl)oxynaphthalen-1-yl]urea
PubChem CID10202991
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name1-(2-cyclohexylcyclopropyl)-3-[4-(2,6-dimethylpyrimidin-4-yl)oxynaphthalen-1-yl]urea
SMILESCc1cc(Oc2ccc(NC(=O)NC3CC3C3CCCCC3)c3ccccc23)nc(C)n1
InChIInChI=1S/C26H30N4O2/c1-16-14-25(28-17(2)27-16)32-24-13-12-22(19-10-6-7-11-20(19)24)29-26(31)30-23-15-21(23)18-8-4-3-5-9-18/h6-7,10-14,18,21,23H,3-5,8-9,15H2,1-2H3,(H2,29,30,31)
InChIKeyUSWZBIQWDUXAIZ-UHFFFAOYSA-N
XLogP6.13
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-tert-butyl-2-methoxyphenyl)-3-[4-(2,6-dimethylpyrimidin-4-yl)oxynaphthalen-1-yl]urea
CID 10298895
1-[4-[2-(cyclopropylmethylamino)-6-methylpyrimidin-4-yl]oxynaphthalen-1-yl]-3-propan-2-ylurea
CID 148632224
1-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-[4-(2,6-dimethylpyrimidin-4-yl)oxynaphthalen-1-yl]urea
CID 10166597
1-[4-(2,6-dimethylpyrimidin-4-yl)oxynaphthalen-1-yl]-3-[3-(methanesulfinamido)-2-methoxy-5-(trifluoromethyl)phenyl]urea
CID 143179688
1-[4-(2-methoxy-6-methylpyrimidin-4-yl)oxynaphthalen-1-yl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
CID 10391196
tert-butyl N-[4-(6-methylpyrimidin-4-yl)oxynaphthalen-1-yl]carbamate
CID 144573046
1-[4-[2-(2,3-dihydroxypropylamino)-6-methylpyrimidin-4-yl]oxynaphthalen-1-yl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
CID 22507003
4-[4-[(5-tert-butyl-2-methoxyphenyl)carbamoylamino]naphthalen-1-yl]oxypyrimidine-2-carboxylic acid
CID 22573873
1-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-[4-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]urea
CID 23505807
1-[4-(2-chloro-6-methylpyrimidin-4-yl)oxynaphthalen-1-yl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea;N',N'-dimethylethane-1,2-diamine
CID 159241776
2-(2,6-dimethylpyrimidin-4-yl)oxy-5-methylbenzoic acid
CID 61396292
1-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-[4-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]urea
CID 10190077

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylcyclopropyl)-3-[4-(2,6-dimethylpyrimidin-4-yl)oxynaphthalen-1-yl]urea?
The IUPAC name of 1-(2-cyclohexylcyclopropyl)-3-[4-(2,6-dimethylpyrimidin-4-yl)oxynaphthalen-1-yl]urea (CID 10202991) is 1-(2-cyclohexylcyclopropyl)-3-[4-(2,6-dimethylpyrimidin-4-yl)oxynaphthalen-1-yl]urea.
What is the SMILES notation for 1-(2-cyclohexylcyclopropyl)-3-[4-(2,6-dimethylpyrimidin-4-yl)oxynaphthalen-1-yl]urea?
The canonical SMILES for 1-(2-cyclohexylcyclopropyl)-3-[4-(2,6-dimethylpyrimidin-4-yl)oxynaphthalen-1-yl]urea is Cc1cc(Oc2ccc(NC(=O)NC3CC3C3CCCCC3)c3ccccc23)nc(C)n1.
What is the InChIKey of 1-(2-cyclohexylcyclopropyl)-3-[4-(2,6-dimethylpyrimidin-4-yl)oxynaphthalen-1-yl]urea?
The InChIKey is USWZBIQWDUXAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-16-14-25(28-17(2)27-16)32-24-13-12-22(19-10-6-7-11-20(19)24)29-26(31)30-23-15-21(23)18-8-4-3-5-9-18/h6-7,10-14,18,21,23H,3-5,8-9,15H2,1-2H3,(H2,29,30,31).
What are the key properties of 1-(2-cyclohexylcyclopropyl)-3-[4-(2,6-dimethylpyrimidin-4-yl)oxynaphthalen-1-yl]urea?
1-(2-cyclohexylcyclopropyl)-3-[4-(2,6-dimethylpyrimidin-4-yl)oxynaphthalen-1-yl]urea has a molecular weight of 430.55 g/mol, XLogP of 6.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylcyclopropyl)-3-[4-(2,6-dimethylpyrimidin-4-yl)oxynaphthalen-1-yl]urea is sourced from PubChem (CID 10202991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).