1-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(2-ethoxyphenyl)urea

C22H32N6O2 — CID 11654518

IUPAC1-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)NC1CCC(Nc2cc(N(C)C)nc(C)n2)CC1
InChIInChI=1S/C22H32N6O2/c1-5-30-19-9-7-6-8-18(19)27-22(29)26-17-12-10-16(11-13-17)25-20-14-21(28(3)4)24-15(2)23-20/h6-9,14,16-17H,5,10-13H2,1-4H3,(H,23,24,25)(H2,26,27,29)
InChIKeyWWNZSOUUSLRVET-UHFFFAOYSA-N
MW412.54 g/mol
LogP3.79
Rot. Bonds7

About 1-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(2-ethoxyphenyl)urea

1-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(2-ethoxyphenyl)urea (PubChem CID 11654518) has the molecular formula C22H32N6O2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 1-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(2-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(2-ethoxyphenyl)urea
PubChem CID11654518
Molecular FormulaC22H32N6O2
Molecular Weight412.54 g/mol
Exact Mass412.26
IUPAC Name1-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)NC1CCC(Nc2cc(N(C)C)nc(C)n2)CC1
InChIInChI=1S/C22H32N6O2/c1-5-30-19-9-7-6-8-18(19)27-22(29)26-17-12-10-16(11-13-17)25-20-14-21(28(3)4)24-15(2)23-20/h6-9,14,16-17H,5,10-13H2,1-4H3,(H,23,24,25)(H2,26,27,29)
InChIKeyWWNZSOUUSLRVET-UHFFFAOYSA-N
XLogP3.79
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(2-ethoxyphenyl)urea with MolForge

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Related Compounds

N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethoxybenzamide
CID 11574826
1-(3,4-dimethoxyphenyl)-3-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]urea
CID 68979415
[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid
CID 68977621
1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
CID 6468357
1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(2-ethoxyphenyl)urea
CID 122296675
1-(2-ethoxyphenyl)-3-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]urea
CID 122297608
N-cyclohexyl-6-(2-ethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109364039
2-(1-benzothiophen-3-yl)-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]acetamide
CID 141223779
1-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122293561
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-9,10-dioxoanthracene-2-carboxamide
CID 141223961
1-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-ethoxyphenyl)urea
CID 23609690
6-N-cyclopropyl-2-N-(2-ethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109093936

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(2-ethoxyphenyl)urea?
The IUPAC name of 1-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(2-ethoxyphenyl)urea (CID 11654518) is 1-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(2-ethoxyphenyl)urea.
What is the SMILES notation for 1-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(2-ethoxyphenyl)urea?
The canonical SMILES for 1-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(2-ethoxyphenyl)urea is CCOc1ccccc1NC(=O)NC1CCC(Nc2cc(N(C)C)nc(C)n2)CC1.
What is the InChIKey of 1-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(2-ethoxyphenyl)urea?
The InChIKey is WWNZSOUUSLRVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O2/c1-5-30-19-9-7-6-8-18(19)27-22(29)26-17-12-10-16(11-13-17)25-20-14-21(28(3)4)24-15(2)23-20/h6-9,14,16-17H,5,10-13H2,1-4H3,(H,23,24,25)(H2,26,27,29).
What are the key properties of 1-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(2-ethoxyphenyl)urea?
1-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(2-ethoxyphenyl)urea has a molecular weight of 412.54 g/mol, XLogP of 3.79, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(2-ethoxyphenyl)urea is sourced from PubChem (CID 11654518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).