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

C16H33N5O2 — CID 140900493

IUPAC1-(4-methoxycyclohexyl)-3-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]urea
SMILESCCCNC1CC(C)NC(NC(=O)NC2CCC(OC)CC2)N1
InChIInChI=1S/C16H33N5O2/c1-4-9-17-14-10-11(2)18-15(20-14)21-16(22)19-12-5-7-13(23-3)8-6-12/h11-15,17-18,20H,4-10H2,1-3H3,(H2,19,21,22)
InChIKeyNRVJOQIYIYXQCD-UHFFFAOYSA-N
MW327.47 g/mol
LogP0.82
Rot. Bonds6

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

1-(4-methoxycyclohexyl)-3-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]urea (PubChem CID 140900493) has the molecular formula C16H33N5O2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 1-(4-methoxycyclohexyl)-3-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]urea.

Molecular Properties

Compound Name1-(4-methoxycyclohexyl)-3-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]urea
PubChem CID140900493
Molecular FormulaC16H33N5O2
Molecular Weight327.47 g/mol
Exact Mass327.26
IUPAC Name1-(4-methoxycyclohexyl)-3-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]urea
SMILESCCCNC1CC(C)NC(NC(=O)NC2CCC(OC)CC2)N1
InChIInChI=1S/C16H33N5O2/c1-4-9-17-14-10-11(2)18-15(20-14)21-16(22)19-12-5-7-13(23-3)8-6-12/h11-15,17-18,20H,4-10H2,1-3H3,(H2,19,21,22)
InChIKeyNRVJOQIYIYXQCD-UHFFFAOYSA-N
XLogP0.82
TPSA86.45 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 50.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-[[6-Methyl-2-[[4-(trifluoromethoxy)cyclohexyl]carbamoylamino]-1,3-diazinan-4-yl]amino]propanamide
CID 140900491
1-[4-[2-(Dimethylamino)ethylamino]-6-methyl-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 140900494
1-[4-(3-Aminopropylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 140900532
1-[4-(2-Aminoethylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 140900567
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-[3-(methylamino)propylamino]-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 140900622
1-[4-Methyl-6-(propylamino)-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 140900632
N-dimethyl-N-[2-[[6-methyl-2-[[4-(trifluoromethoxy)cyclohexyl]carbamoylamino]-1,3-diazinan-4-yl]amino]ethyl]boronamidic acid
CID 140900639
N-[3-[[6-methyl-2-[[4-(trifluoromethoxy)cyclohexyl]carbamoylamino]-1,3-diazinan-4-yl]amino]propyl]acetamide
CID 140900641
1-[4-[3-(Methylamino)propylamino]-6-propan-2-yl-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 142295290

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxycyclohexyl)-3-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]urea?
The IUPAC name of 1-(4-methoxycyclohexyl)-3-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]urea (CID 140900493) is 1-(4-methoxycyclohexyl)-3-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]urea.
What is the SMILES notation for 1-(4-methoxycyclohexyl)-3-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]urea?
The canonical SMILES for 1-(4-methoxycyclohexyl)-3-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]urea is CCCNC1CC(C)NC(NC(=O)NC2CCC(OC)CC2)N1.
What is the InChIKey of 1-(4-methoxycyclohexyl)-3-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]urea?
The InChIKey is NRVJOQIYIYXQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5O2/c1-4-9-17-14-10-11(2)18-15(20-14)21-16(22)19-12-5-7-13(23-3)8-6-12/h11-15,17-18,20H,4-10H2,1-3H3,(H2,19,21,22).
What are the key properties of 1-(4-methoxycyclohexyl)-3-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]urea?
1-(4-methoxycyclohexyl)-3-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]urea has a molecular weight of 327.47 g/mol, XLogP of 0.82, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxycyclohexyl)-3-[4-methyl-6-(propylamino)-1,3-diazinan-2-yl]urea is sourced from PubChem (CID 140900493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).