N-[[4-(dimethylamino)oxan-4-yl]methyl]-6-ethyl-2-methylpyrimidin-4-amine

C15H26N4O — CID 133460793

IUPACN-[[4-(dimethylamino)oxan-4-yl]methyl]-6-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCC2(N(C)C)CCOCC2)nc(C)n1
InChIInChI=1S/C15H26N4O/c1-5-13-10-14(18-12(2)17-13)16-11-15(19(3)4)6-8-20-9-7-15/h10H,5-9,11H2,1-4H3,(H,16,17,18)
InChIKeyQJJYBQJXHYFYGI-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.87
Rot. Bonds5

About N-[[4-(dimethylamino)oxan-4-yl]methyl]-6-ethyl-2-methylpyrimidin-4-amine

N-[[4-(dimethylamino)oxan-4-yl]methyl]-6-ethyl-2-methylpyrimidin-4-amine (PubChem CID 133460793) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[4-(dimethylamino)oxan-4-yl]methyl]-6-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-6-ethyl-2-methylpyrimidin-4-amine
PubChem CID133460793
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-6-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCC2(N(C)C)CCOCC2)nc(C)n1
InChIInChI=1S/C15H26N4O/c1-5-13-10-14(18-12(2)17-13)16-11-15(19(3)4)6-8-20-9-7-15/h10H,5-9,11H2,1-4H3,(H,16,17,18)
InChIKeyQJJYBQJXHYFYGI-UHFFFAOYSA-N
XLogP1.87
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-6-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-6-ethyl-2-methylpyrimidin-4-amine (CID 133460793) is N-[[4-(dimethylamino)oxan-4-yl]methyl]-6-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[[4-(dimethylamino)oxan-4-yl]methyl]-6-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[[4-(dimethylamino)oxan-4-yl]methyl]-6-ethyl-2-methylpyrimidin-4-amine is CCc1cc(NCC2(N(C)C)CCOCC2)nc(C)n1.
What is the InChIKey of N-[[4-(dimethylamino)oxan-4-yl]methyl]-6-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is QJJYBQJXHYFYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-13-10-14(18-12(2)17-13)16-11-15(19(3)4)6-8-20-9-7-15/h10H,5-9,11H2,1-4H3,(H,16,17,18).
What are the key properties of N-[[4-(dimethylamino)oxan-4-yl]methyl]-6-ethyl-2-methylpyrimidin-4-amine?
N-[[4-(dimethylamino)oxan-4-yl]methyl]-6-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 278.40 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)oxan-4-yl]methyl]-6-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 133460793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).