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

C15H31N5O3 — CID 140900401

IUPAC1-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea
SMILESCOC1CCC(NC(=O)NC2NC(C)CC(NCCO)N2)CC1
InChIInChI=1S/C15H31N5O3/c1-10-9-13(16-7-8-21)19-14(17-10)20-15(22)18-11-3-5-12(23-2)6-4-11/h10-14,16-17,19,21H,3-9H2,1-2H3,(H2,18,20,22)
InChIKeyQALPOYWWGRGUDO-UHFFFAOYSA-N
MW329.45 g/mol
LogP-0.59
Rot. Bonds6

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

1-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea (PubChem CID 140900401) has the molecular formula C15H31N5O3 and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea.

Molecular Properties

Compound Name1-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea
PubChem CID140900401
Molecular FormulaC15H31N5O3
Molecular Weight329.45 g/mol
Exact Mass329.24
IUPAC Name1-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea
SMILESCOC1CCC(NC(=O)NC2NC(C)CC(NCCO)N2)CC1
InChIInChI=1S/C15H31N5O3/c1-10-9-13(16-7-8-21)19-14(17-10)20-15(22)18-11-3-5-12(23-2)6-4-11/h10-14,16-17,19,21H,3-9H2,1-2H3,(H2,18,20,22)
InChIKeyQALPOYWWGRGUDO-UHFFFAOYSA-N
XLogP-0.59
TPSA106.68 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.45
LogP ≤ 5-0.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-hydroxycyclohexyl)-3-[(2S)-1-methoxyhexan-2-yl]urea
CID 96373776
1-[4-(2-Hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[3-(trifluoromethoxy)cyclohexyl]urea
CID 140900405
1-[4-(2-Hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 140900407
1-[4-(Ethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 140900481
1-[4-(2,3-Dihydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 140900505
1-[4-(3-Aminopropylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 140900532
1-[4-[(2,2-Difluoro-3-hydroxypropyl)amino]-6-methyl-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 140900588
1-[4-Methyl-6-(propylamino)-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 140900632
1-(4-Amino-6-methyl-1,3-diazinan-2-yl)-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 142295293
1-[4-Methyl-6-(methylamino)-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 142295428
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea?
The IUPAC name of 1-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea (CID 140900401) is 1-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea.
What is the SMILES notation for 1-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea?
The canonical SMILES for 1-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea is COC1CCC(NC(=O)NC2NC(C)CC(NCCO)N2)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea?
The InChIKey is QALPOYWWGRGUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5O3/c1-10-9-13(16-7-8-21)19-14(17-10)20-15(22)18-11-3-5-12(23-2)6-4-11/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-(4-methoxycyclohexyl)urea?
1-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea has a molecular weight of 329.45 g/mol, XLogP of -0.59, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]-3-(4-methoxycyclohexyl)urea is sourced from PubChem (CID 140900401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).