[4-[5-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]pyrimidin-2-yl]oxycyclohexyl] acetate

C26H28N4O5 — CID 71478393

IUPAC[4-[5-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]pyrimidin-2-yl]oxycyclohexyl] acetate
SMILESCOc1ccccc1NC(=O)Nc1ccc(-c2cnc(OC3CCC(OC(C)=O)CC3)nc2)cc1
InChIInChI=1S/C26H28N4O5/c1-17(31)34-21-11-13-22(14-12-21)35-26-27-15-19(16-28-26)18-7-9-20(10-8-18)29-25(32)30-23-5-3-4-6-24(23)33-2/h3-10,15-16,21-22H,11-14H2,1-2H3,(H2,29,30,32)
InChIKeyBTWMSVCWWWNHLW-UHFFFAOYSA-N
MW476.53 g/mol
LogP5.05
Rot. Bonds7

About [4-[5-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]pyrimidin-2-yl]oxycyclohexyl] acetate

[4-[5-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]pyrimidin-2-yl]oxycyclohexyl] acetate (PubChem CID 71478393) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is [4-[5-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]pyrimidin-2-yl]oxycyclohexyl] acetate.

Molecular Properties

Compound Name[4-[5-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]pyrimidin-2-yl]oxycyclohexyl] acetate
PubChem CID71478393
Molecular FormulaC26H28N4O5
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC Name[4-[5-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]pyrimidin-2-yl]oxycyclohexyl] acetate
SMILESCOc1ccccc1NC(=O)Nc1ccc(-c2cnc(OC3CCC(OC(C)=O)CC3)nc2)cc1
InChIInChI=1S/C26H28N4O5/c1-17(31)34-21-11-13-22(14-12-21)35-26-27-15-19(16-28-26)18-7-9-20(10-8-18)29-25(32)30-23-5-3-4-6-24(23)33-2/h3-10,15-16,21-22H,11-14H2,1-2H3,(H2,29,30,32)
InChIKeyBTWMSVCWWWNHLW-UHFFFAOYSA-N
XLogP5.05
TPSA111.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[5-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]pyrimidin-2-yl]oxycyclohexyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 71799842
1-(2-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]urea
CID 72547993
CID 168763596
CID 168763596
1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867158
4-[(2-methoxyphenyl)carbamoylamino]benzoic acid
CID 853793
1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108992011
1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea
CID 43602334
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2-methoxyphenyl)urea
CID 46381122
5-(cyclohexylamino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109183176
1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methoxyphenyl)urea
CID 71807636
4-cyclopentyloxy-5-methoxy-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 22145755
N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257523

Frequently Asked Questions

What is the IUPAC name of [4-[5-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]pyrimidin-2-yl]oxycyclohexyl] acetate?
The IUPAC name of [4-[5-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]pyrimidin-2-yl]oxycyclohexyl] acetate (CID 71478393) is [4-[5-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]pyrimidin-2-yl]oxycyclohexyl] acetate.
What is the SMILES notation for [4-[5-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]pyrimidin-2-yl]oxycyclohexyl] acetate?
The canonical SMILES for [4-[5-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]pyrimidin-2-yl]oxycyclohexyl] acetate is COc1ccccc1NC(=O)Nc1ccc(-c2cnc(OC3CCC(OC(C)=O)CC3)nc2)cc1.
What is the InChIKey of [4-[5-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]pyrimidin-2-yl]oxycyclohexyl] acetate?
The InChIKey is BTWMSVCWWWNHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5/c1-17(31)34-21-11-13-22(14-12-21)35-26-27-15-19(16-28-26)18-7-9-20(10-8-18)29-25(32)30-23-5-3-4-6-24(23)33-2/h3-10,15-16,21-22H,11-14H2,1-2H3,(H2,29,30,32).
What are the key properties of [4-[5-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]pyrimidin-2-yl]oxycyclohexyl] acetate?
[4-[5-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]pyrimidin-2-yl]oxycyclohexyl] acetate has a molecular weight of 476.53 g/mol, XLogP of 5.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]pyrimidin-2-yl]oxycyclohexyl] acetate is sourced from PubChem (CID 71478393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).