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

C15H31N5O2 — CID 140900468

IUPAC1-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea
SMILESCC1CCCC(NC(=O)NC2NC(C)CC(NCCO)N2)C1
InChIInChI=1S/C15H31N5O2/c1-10-4-3-5-12(8-10)18-15(22)20-14-17-11(2)9-13(19-14)16-6-7-21/h10-14,16-17,19,21H,3-9H2,1-2H3,(H2,18,20,22)
InChIKeySADAOTYMNMAJRL-UHFFFAOYSA-N
MW313.45 g/mol
LogP0.03
Rot. Bonds5

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

1-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea (PubChem CID 140900468) has the molecular formula C15H31N5O2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea
PubChem CID140900468
Molecular FormulaC15H31N5O2
Molecular Weight313.45 g/mol
Exact Mass313.25
IUPAC Name1-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea
SMILESCC1CCCC(NC(=O)NC2NC(C)CC(NCCO)N2)C1
InChIInChI=1S/C15H31N5O2/c1-10-4-3-5-12(8-10)18-15(22)20-14-17-11(2)9-13(19-14)16-6-7-21/h10-14,16-17,19,21H,3-9H2,1-2H3,(H2,18,20,22)
InChIKeySADAOTYMNMAJRL-UHFFFAOYSA-N
XLogP0.03
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 ≤ 50.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]urea
CID 140900640
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]urea
CID 140900629
1-(3,4-dichlorocyclohexyl)-3-[4-(4-hydroxybutylamino)-6-methyl-1,3-diazinan-2-yl]urea
CID 140900509
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-[4-(ethylamino)-6-methyl-1,3-diazinan-2-yl]urea
CID 140900445
1-[4-(3-aminopropylamino)-6-methyl-1,3-diazinan-2-yl]-3-[3-(trifluoromethoxy)cyclohexyl]urea
CID 140900462
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-[4-(3-aminopropylamino)-6-methyl-1,3-diazinan-2-yl]urea
CID 153299869
1-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 140900458
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-3-[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]urea
CID 153299899
1-[4-(4-aminobutylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3,4-diethylcyclohexyl)urea
CID 142295452
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-[4-(2,3-dihydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]urea
CID 149424836
1-[4-(3-aminopropylamino)-6-methyl-1,3-diazinan-2-yl]-3-(4-tert-butylcyclohexyl)urea
CID 140900524
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-[4-(2-aminoethylamino)-6-methyl-1,3-diazinan-2-yl]urea
CID 147515462

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea?
The IUPAC name of 1-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea (CID 140900468) is 1-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea.
What is the SMILES notation for 1-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea?
The canonical SMILES for 1-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea is CC1CCCC(NC(=O)NC2NC(C)CC(NCCO)N2)C1.
What is the InChIKey of 1-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea?
The InChIKey is SADAOTYMNMAJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5O2/c1-10-4-3-5-12(8-10)18-15(22)20-14-17-11(2)9-13(19-14)16-6-7-21/h10-14,16-17,19,21H,3-9H2,1-2H3,(H2,18,20,22).
What are the key properties of 1-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea?
1-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea has a molecular weight of 313.45 g/mol, XLogP of 0.03, 5 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(3-methylcyclohexyl)urea is sourced from PubChem (CID 140900468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).