N-[(6,6-dimethyloxan-3-yl)methyl]-N-ethyl-5,6-difluoropyrimidin-4-amine;ethane

C16H27F2N3O — CID 156872230

IUPACN-[(6,6-dimethyloxan-3-yl)methyl]-N-ethyl-5,6-difluoropyrimidin-4-amine;ethane
SMILESCC.CCN(CC1CCC(C)(C)OC1)c1ncnc(F)c1F
InChIInChI=1S/C14H21F2N3O.C2H6/c1-4-19(13-11(15)12(16)17-9-18-13)7-10-5-6-14(2,3)20-8-10;1-2/h9-10H,4-8H2,1-3H3;1-2H3
InChIKeyYEDHAMPNGODXIO-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.81
Rot. Bonds4

About N-[(6,6-dimethyloxan-3-yl)methyl]-N-ethyl-5,6-difluoropyrimidin-4-amine;ethane

N-[(6,6-dimethyloxan-3-yl)methyl]-N-ethyl-5,6-difluoropyrimidin-4-amine;ethane (PubChem CID 156872230) has the molecular formula C16H27F2N3O and a molecular weight of 315.41 g/mol. Its IUPAC name is N-[(6,6-dimethyloxan-3-yl)methyl]-N-ethyl-5,6-difluoropyrimidin-4-amine;ethane.

Molecular Properties

Compound NameN-[(6,6-dimethyloxan-3-yl)methyl]-N-ethyl-5,6-difluoropyrimidin-4-amine;ethane
PubChem CID156872230
Molecular FormulaC16H27F2N3O
Molecular Weight315.41 g/mol
Exact Mass315.21
IUPAC NameN-[(6,6-dimethyloxan-3-yl)methyl]-N-ethyl-5,6-difluoropyrimidin-4-amine;ethane
SMILESCC.CCN(CC1CCC(C)(C)OC1)c1ncnc(F)c1F
InChIInChI=1S/C14H21F2N3O.C2H6/c1-4-19(13-11(15)12(16)17-9-18-13)7-10-5-6-14(2,3)20-8-10;1-2/h9-10H,4-8H2,1-3H3;1-2H3
InChIKeyYEDHAMPNGODXIO-UHFFFAOYSA-N
XLogP3.81
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(6,6-dimethyloxan-3-yl)methyl]-N-ethyl-5,6-difluoropyrimidin-4-amine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(6,6-dimethyloxan-3-yl)methyl]-N-ethyl-5,6-difluoropyrimidin-4-amine
CID 156872231
N-[[(3R)-6,6-dimethyloxan-3-yl]methyl]-N-ethyl-5,6-difluoropyrimidin-4-amine
CID 156872260
4-N-[(6,6-dimethyloxan-3-yl)methyl]-4-N-ethyl-5-fluoro-6-N-(piperidin-4-ylmethyl)pyrimidine-4,6-diamine
CID 156872298
N-[[(3R)-6,6-dimethyloxan-3-yl]methyl]-N-ethyl-5,6-difluoro-1-propylpyrimidin-1-ium-4-amine
CID 156872312
2-chloro-5-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 79075797
5-fluoro-4-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80846316
4-Fluoro-6-[3-(methoxymethyl)piperidin-1-yl]pyrimidine
CID 106588145
6-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 115417006
4-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80846428
4-N,6-N,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80846604
6-[3-(Methoxymethyl)piperidin-1-yl]-5-methylpyrimidin-4-amine
CID 113853885

Frequently Asked Questions

What is the IUPAC name of N-[(6,6-dimethyloxan-3-yl)methyl]-N-ethyl-5,6-difluoropyrimidin-4-amine;ethane?
The IUPAC name of N-[(6,6-dimethyloxan-3-yl)methyl]-N-ethyl-5,6-difluoropyrimidin-4-amine;ethane (CID 156872230) is N-[(6,6-dimethyloxan-3-yl)methyl]-N-ethyl-5,6-difluoropyrimidin-4-amine;ethane.
What is the SMILES notation for N-[(6,6-dimethyloxan-3-yl)methyl]-N-ethyl-5,6-difluoropyrimidin-4-amine;ethane?
The canonical SMILES for N-[(6,6-dimethyloxan-3-yl)methyl]-N-ethyl-5,6-difluoropyrimidin-4-amine;ethane is CC.CCN(CC1CCC(C)(C)OC1)c1ncnc(F)c1F.
What is the InChIKey of N-[(6,6-dimethyloxan-3-yl)methyl]-N-ethyl-5,6-difluoropyrimidin-4-amine;ethane?
The InChIKey is YEDHAMPNGODXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O.C2H6/c1-4-19(13-11(15)12(16)17-9-18-13)7-10-5-6-14(2,3)20-8-10;1-2/h9-10H,4-8H2,1-3H3;1-2H3.
What are the key properties of N-[(6,6-dimethyloxan-3-yl)methyl]-N-ethyl-5,6-difluoropyrimidin-4-amine;ethane?
N-[(6,6-dimethyloxan-3-yl)methyl]-N-ethyl-5,6-difluoropyrimidin-4-amine;ethane has a molecular weight of 315.41 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,6-dimethyloxan-3-yl)methyl]-N-ethyl-5,6-difluoropyrimidin-4-amine;ethane is sourced from PubChem (CID 156872230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).