1-cyclohexyl-3-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]urea

C15H31N5O2 — CID 140900576

IUPAC1-cyclohexyl-3-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]urea
SMILESCC(O)CNC1CC(C)NC(NC(=O)NC2CCCCC2)N1
InChIInChI=1S/C15H31N5O2/c1-10-8-13(16-9-11(2)21)19-14(17-10)20-15(22)18-12-6-4-3-5-7-12/h10-14,16-17,19,21H,3-9H2,1-2H3,(H2,18,20,22)
InChIKeyMXPVKXBRONPURF-UHFFFAOYSA-N
MW313.45 g/mol
LogP0.17
Rot. Bonds5

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

1-cyclohexyl-3-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]urea (PubChem CID 140900576) has the molecular formula C15H31N5O2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]urea
PubChem CID140900576
Molecular FormulaC15H31N5O2
Molecular Weight313.45 g/mol
Exact Mass313.25
IUPAC Name1-cyclohexyl-3-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]urea
SMILESCC(O)CNC1CC(C)NC(NC(=O)NC2CCCCC2)N1
InChIInChI=1S/C15H31N5O2/c1-10-8-13(16-9-11(2)21)19-14(17-10)20-15(22)18-12-6-4-3-5-7-12/h10-14,16-17,19,21H,3-9H2,1-2H3,(H2,18,20,22)
InChIKeyMXPVKXBRONPURF-UHFFFAOYSA-N
XLogP0.17
TPSA97.45 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.45
LogP ≤ 50.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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Related Compounds

1-Cyclohexyl-3-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methyl-1,3-diazinan-2-yl]urea
CID 140900409
1-(3-Chloro-4-fluorocyclohexyl)-3-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]urea
CID 140900556
1-[4-(2-Hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 153299923
N-cyclohexyl-3-hydroxypiperidine-1-carboxamide
CID 3869043
1-(1-Ethylpiperidin-4-yl)-5-hydroxy-1,3-diazinan-2-one
CID 18340091
N-(2-hydroxypropyl)-2-methylpiperidine-1-carboxamide
CID 21406201
N-(2-hydroxy-1-piperidin-1-ylpropyl)formamide
CID 57115590
(3-Hydroxy-4-piperidin-1-ylbutan-2-yl)urea
CID 57150920
1-Cyclohexyl-3-(2-hydroxybutyl)urea
CID 58748944
1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-tert-butylurea
CID 89492886
1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-methylurea
CID 89495142
1-[1-(2-Hydroxyethyl)piperidin-4-yl]-1,3-dimethylurea
CID 91351399

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]urea (CID 140900576) is 1-cyclohexyl-3-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]urea is CC(O)CNC1CC(C)NC(NC(=O)NC2CCCCC2)N1.
What is the InChIKey of 1-cyclohexyl-3-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]urea?
The InChIKey is MXPVKXBRONPURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5O2/c1-10-8-13(16-9-11(2)21)19-14(17-10)20-15(22)18-12-6-4-3-5-7-12/h10-14,16-17,19,21H,3-9H2,1-2H3,(H2,18,20,22).
What are the key properties of 1-cyclohexyl-3-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]urea?
1-cyclohexyl-3-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]urea has a molecular weight of 313.45 g/mol, XLogP of 0.17, 5 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]urea is sourced from PubChem (CID 140900576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).