1-(3,4-dimethylcyclohexyl)-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea

C16H33N5O2 — CID 140900477

IUPAC1-(3,4-dimethylcyclohexyl)-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea
SMILESCC1CC(NCCO)NC(NC(=O)NC2CCC(C)C(C)C2)N1
InChIInChI=1S/C16H33N5O2/c1-10-4-5-13(8-11(10)2)19-16(23)21-15-18-12(3)9-14(20-15)17-6-7-22/h10-15,17-18,20,22H,4-9H2,1-3H3,(H2,19,21,23)
InChIKeyMIQUZPNTMBPTEG-UHFFFAOYSA-N
MW327.47 g/mol
LogP0.27
Rot. Bonds5

About 1-(3,4-dimethylcyclohexyl)-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea

1-(3,4-dimethylcyclohexyl)-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea (PubChem CID 140900477) has the molecular formula C16H33N5O2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea
PubChem CID140900477
Molecular FormulaC16H33N5O2
Molecular Weight327.47 g/mol
Exact Mass327.26
IUPAC Name1-(3,4-dimethylcyclohexyl)-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea
SMILESCC1CC(NCCO)NC(NC(=O)NC2CCC(C)C(C)C2)N1
InChIInChI=1S/C16H33N5O2/c1-10-4-5-13(8-11(10)2)19-16(23)21-15-18-12(3)9-14(20-15)17-6-7-22/h10-15,17-18,20,22H,4-9H2,1-3H3,(H2,19,21,23)
InChIKeyMIQUZPNTMBPTEG-UHFFFAOYSA-N
XLogP0.27
TPSA97.45 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.47
LogP ≤ 50.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dimethylcyclohexyl)-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea with MolForge

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Related Compounds

3-[1-(Cyclohexylmethyl)piperidin-4-yl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 75379635
3-(2,3-Dimethylcyclohexyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 60464070
1-[4-(2-Hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 140900454
1-[4-(2-Hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 140900458
1-[4-(2-Hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 140900523
1-[4-(2-Hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 140900587
1-[4-Fluoro-3-(trifluoromethyl)cyclohexyl]-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea
CID 140900643
1-(4-Fluoro-3-methylcyclohexyl)-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea
CID 145147106
1-(1,2,3,4,4a,5,6,7,8,8a-Decahydronaphthalen-2-yl)-3-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methyl-1,3-diazinan-2-yl]urea
CID 146941979
1-(2-Cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-piperidin-1-ylpropyl)urea
CID 15541416
1-(2-Cyclohexylethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-(2-hydroxyethyl)urea
CID 18621155
1-(2-Cyclohexylethyl)-1-(2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
CID 18621165

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea (CID 140900477) is 1-(3,4-dimethylcyclohexyl)-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea is CC1CC(NCCO)NC(NC(=O)NC2CCC(C)C(C)C2)N1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea?
The InChIKey is MIQUZPNTMBPTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5O2/c1-10-4-5-13(8-11(10)2)19-16(23)21-15-18-12(3)9-14(20-15)17-6-7-22/h10-15,17-18,20,22H,4-9H2,1-3H3,(H2,19,21,23).
What are the key properties of 1-(3,4-dimethylcyclohexyl)-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea?
1-(3,4-dimethylcyclohexyl)-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea has a molecular weight of 327.47 g/mol, XLogP of 0.27, 5 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea is sourced from PubChem (CID 140900477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).