1-cyclohexyl-3-[3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea

C22H30N6O2 — CID 70674637

IUPAC1-cyclohexyl-3-[3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
SMILESCc1nc(Nc2cccc(NC(=O)NC3CCCCC3)c2)cc(N2CCOCC2)n1
InChIInChI=1S/C22H30N6O2/c1-16-23-20(15-21(24-16)28-10-12-30-13-11-28)25-18-8-5-9-19(14-18)27-22(29)26-17-6-3-2-4-7-17/h5,8-9,14-15,17H,2-4,6-7,10-13H2,1H3,(H,23,24,25)(H2,26,27,29)
InChIKeyGBGVQNOYFNWQIO-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.82
Rot. Bonds5

About 1-cyclohexyl-3-[3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea

1-cyclohexyl-3-[3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea (PubChem CID 70674637) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
PubChem CID70674637
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name1-cyclohexyl-3-[3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
SMILESCc1nc(Nc2cccc(NC(=O)NC3CCCCC3)c2)cc(N2CCOCC2)n1
InChIInChI=1S/C22H30N6O2/c1-16-23-20(15-21(24-16)28-10-12-30-13-11-28)25-18-8-5-9-19(14-18)27-22(29)26-17-6-3-2-4-7-17/h5,8-9,14-15,17H,2-4,6-7,10-13H2,1H3,(H,23,24,25)(H2,26,27,29)
InChIKeyGBGVQNOYFNWQIO-UHFFFAOYSA-N
XLogP3.82
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-3-(4-pyrrolidin-1-ylbutyl)urea
CID 70674867
1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50748054
methyl 3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 112869947
N-(3-chlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869918
3-cyclopentyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 122297331
(4-nitrophenyl) N-[3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]carbamate
CID 141446829
2-methyl-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112869941
1-(2-fluorophenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50748155
1-[3-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]phenyl]-3-(2-methylpropyl)urea
CID 70675104
1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 51082716
1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50748172
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[3-(1,3-oxazol-2-yl)phenyl]urea
CID 126787318

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea (CID 70674637) is 1-cyclohexyl-3-[3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea is Cc1nc(Nc2cccc(NC(=O)NC3CCCCC3)c2)cc(N2CCOCC2)n1.
What is the InChIKey of 1-cyclohexyl-3-[3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea?
The InChIKey is GBGVQNOYFNWQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-16-23-20(15-21(24-16)28-10-12-30-13-11-28)25-18-8-5-9-19(14-18)27-22(29)26-17-6-3-2-4-7-17/h5,8-9,14-15,17H,2-4,6-7,10-13H2,1H3,(H,23,24,25)(H2,26,27,29).
What are the key properties of 1-cyclohexyl-3-[3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea?
1-cyclohexyl-3-[3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea has a molecular weight of 410.52 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea is sourced from PubChem (CID 70674637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).