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

C15H29F2N5O2 — CID 140900409

IUPAC1-cyclohexyl-3-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methyl-1,3-diazinan-2-yl]urea
SMILESCC1CC(NCC(F)(F)CO)NC(NC(=O)NC2CCCCC2)N1
InChIInChI=1S/C15H29F2N5O2/c1-10-7-12(18-8-15(16,17)9-23)21-13(19-10)22-14(24)20-11-5-3-2-4-6-11/h10-13,18-19,21,23H,2-9H2,1H3,(H2,20,22,24)
InChIKeyUSEWTCWRRIEOMA-UHFFFAOYSA-N
MW349.43 g/mol
LogP0.42
Rot. Bonds6

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

1-cyclohexyl-3-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methyl-1,3-diazinan-2-yl]urea (PubChem CID 140900409) has the molecular formula C15H29F2N5O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methyl-1,3-diazinan-2-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methyl-1,3-diazinan-2-yl]urea
PubChem CID140900409
Molecular FormulaC15H29F2N5O2
Molecular Weight349.43 g/mol
Exact Mass349.23
IUPAC Name1-cyclohexyl-3-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methyl-1,3-diazinan-2-yl]urea
SMILESCC1CC(NCC(F)(F)CO)NC(NC(=O)NC2CCCCC2)N1
InChIInChI=1S/C15H29F2N5O2/c1-10-7-12(18-8-15(16,17)9-23)21-13(19-10)22-14(24)20-11-5-3-2-4-6-11/h10-13,18-19,21,23H,2-9H2,1H3,(H2,20,22,24)
InChIKeyUSEWTCWRRIEOMA-UHFFFAOYSA-N
XLogP0.42
TPSA97.45 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 50.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Analyze 1-cyclohexyl-3-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methyl-1,3-diazinan-2-yl]urea with MolForge

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Related Compounds

1-[4-[(2,2-Difluoro-3-hydroxypropyl)amino]-6-methyl-1,3-diazinan-2-yl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 140900548
1-[4-[(2,2-Difluoro-3-hydroxypropyl)amino]-6-methyl-1,3-diazinan-2-yl]-3-[4-(trifluoromethoxy)cyclohexyl]urea
CID 140900588
1-[4-[(2,2-Difluoro-3-hydroxypropyl)amino]-6-methyl-1,3-diazinan-2-yl]-3-[4-fluoro-3-(trifluoromethyl)cyclohexyl]urea
CID 140900594
4-[(2,2-Difluoro-3-hydroxypropyl)amino]piperidine-1-carboxamide
CID 104857466
4-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 104857474
1-Cyclohexyl-3-(2,2-difluoro-3-hydroxypropyl)urea
CID 104859025
1-(2,2-Difluoro-3-hydroxypropyl)-3-[4-(4-methylpiperidin-1-yl)cyclohexyl]urea
CID 121547893
1-Cyclohexyl-3-[4-(2,3-dihydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]urea
CID 140900424
1-Cyclohexyl-3-[4-(2-hydroxyethylamino)-6-methyl-1,3-diazinan-2-yl]urea
CID 140900529
1-Cyclohexyl-3-[4-(2-hydroxypropylamino)-6-methyl-1,3-diazinan-2-yl]urea
CID 140900576
1-Cyclohexyl-3-[4-(4-hydroxybutylamino)-6-methyl-1,3-diazinan-2-yl]urea
CID 140900644
1-Cyclohexyl-3-[1-(3-hydroxypropyl)piperidin-4-yl]urea
CID 53601657

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methyl-1,3-diazinan-2-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methyl-1,3-diazinan-2-yl]urea (CID 140900409) is 1-cyclohexyl-3-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methyl-1,3-diazinan-2-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methyl-1,3-diazinan-2-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methyl-1,3-diazinan-2-yl]urea is CC1CC(NCC(F)(F)CO)NC(NC(=O)NC2CCCCC2)N1.
What is the InChIKey of 1-cyclohexyl-3-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methyl-1,3-diazinan-2-yl]urea?
The InChIKey is USEWTCWRRIEOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F2N5O2/c1-10-7-12(18-8-15(16,17)9-23)21-13(19-10)22-14(24)20-11-5-3-2-4-6-11/h10-13,18-19,21,23H,2-9H2,1H3,(H2,20,22,24).
What are the key properties of 1-cyclohexyl-3-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methyl-1,3-diazinan-2-yl]urea?
1-cyclohexyl-3-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methyl-1,3-diazinan-2-yl]urea has a molecular weight of 349.43 g/mol, XLogP of 0.42, 6 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methyl-1,3-diazinan-2-yl]urea is sourced from PubChem (CID 140900409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).