3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea

C17H28N4O2 — CID 90634997

IUPAC3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NC1CCC(Oc2nc(C)cc(C)n2)CC1
InChIInChI=1S/C17H28N4O2/c1-5-21(6-2)17(22)20-14-7-9-15(10-8-14)23-16-18-12(3)11-13(4)19-16/h11,14-15H,5-10H2,1-4H3,(H,20,22)
InChIKeyZGYRZJQKFOSUBU-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.83
Rot. Bonds5

About 3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea

3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea (PubChem CID 90634997) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea
PubChem CID90634997
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NC1CCC(Oc2nc(C)cc(C)n2)CC1
InChIInChI=1S/C17H28N4O2/c1-5-21(6-2)17(22)20-14-7-9-15(10-8-14)23-16-18-12(3)11-13(4)19-16/h11,14-15H,5-10H2,1-4H3,(H,20,22)
InChIKeyZGYRZJQKFOSUBU-UHFFFAOYSA-N
XLogP2.83
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[(4,6-dimethyl-2-pyrimidinyl)amino]-4,5-dihydro-1H-imidazole-1-carboxamide
CID 938501
4,6-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine
CID 75423985
2-oxo-N-[(1r,4r)-4-[(4,6-dimethylpyrimidin-2-yl)oxy]cyclohexyl]-1,2-dihydropyridine-3-carboxamide
CID 91626453
1-acetyl-N-((1r,4r)-4-((4,6-dimethylpyrimidin-2-yl)oxy)cyclohexyl)piperidine-4-carboxamide
CID 91626455
N-[(1r,4r)-4-[(4,6-dimethylpyrimidin-2-yl)oxy]cyclohexyl]morpholine-4-carboxamide
CID 91626488
1-[1-(4,6-Dimethylpyrimidin-2-yl)piperidin-4-yl]-3-propylurea
CID 45106456
Tert-butyl (1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl)carbamate
CID 45106477
5-oxo-N-[(1r,4r)-4-[(4,6-dimethylpyrimidin-2-yl)oxy]cyclohexyl]pyrrolidine-2-carboxamide
CID 91626451
2-(N-methylmethanesulfonamido)-N-[(1r,4r)-4-[(4,6-dimethylpyrimidin-2-yl)oxy]cyclohexyl]acetamide
CID 91626470
N-[(1r,4r)-4-[(4,6-dimethylpyrimidin-2-yl)oxy]cyclohexyl]cyclohex-3-ene-1-carboxamide
CID 91626471
N-[(1r,4r)-4-[(4,6-dimethylpyrimidin-2-yl)oxy]cyclohexyl]oxane-4-carboxamide
CID 91626478
4,6-dimethyl-N-[3-[(2R)-oxan-2-yl]propyl]pyrimidin-2-amine
CID 124224557

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea?
The IUPAC name of 3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea (CID 90634997) is 3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea.
What is the SMILES notation for 3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea?
The canonical SMILES for 3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea is CCN(CC)C(=O)NC1CCC(Oc2nc(C)cc(C)n2)CC1.
What is the InChIKey of 3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea?
The InChIKey is ZGYRZJQKFOSUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-5-21(6-2)17(22)20-14-7-9-15(10-8-14)23-16-18-12(3)11-13(4)19-16/h11,14-15H,5-10H2,1-4H3,(H,20,22).
What are the key properties of 3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea?
3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea has a molecular weight of 320.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea is sourced from PubChem (CID 90634997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).