1-[4-(2-ethyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]-N-methylmethanamine

C13H22N4O — CID 114218758

IUPAC1-[4-(2-ethyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCCC1CN(c2ncncc2CNC)CCCO1
InChIInChI=1S/C13H22N4O/c1-3-12-9-17(5-4-6-18-12)13-11(7-14-2)8-15-10-16-13/h8,10,12,14H,3-7,9H2,1-2H3
InChIKeyUHXAFWUDYJPOFV-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.20
Rot. Bonds4

About 1-[4-(2-ethyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]-N-methylmethanamine

1-[4-(2-ethyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]-N-methylmethanamine (PubChem CID 114218758) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[4-(2-ethyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-ethyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]-N-methylmethanamine
PubChem CID114218758
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[4-(2-ethyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCCC1CN(c2ncncc2CNC)CCCO1
InChIInChI=1S/C13H22N4O/c1-3-12-9-17(5-4-6-18-12)13-11(7-14-2)8-15-10-16-13/h8,10,12,14H,3-7,9H2,1-2H3
InChIKeyUHXAFWUDYJPOFV-UHFFFAOYSA-N
XLogP1.20
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-[5-(methylaminomethyl)pyrimidin-4-yl]piperidin-4-amine
CID 114216020
4-(2-ethyl-1,4-oxazepan-4-yl)-5-methylpyrimidin-2-amine
CID 114218859
2-ethyl-4-(8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-yl)morpholine
CID 43055518
N-[[4-(2-ethylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine
CID 81246777
[2-(2-ethylmorpholin-4-yl)-3-pyridinyl]methanol
CID 55031188
N-ethyl-6-(2-ethylmorpholin-4-yl)-5-methylpyrimidin-4-amine
CID 80788166
N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 114216063
1-[4-(2-ethylmorpholin-4-yl)phenyl]-N-methylmethanamine
CID 43562969
(1R)-1-[5-(2-ethyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethanamine
CID 114218474
N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 114216062
5-chloro-6-(2-ethylmorpholin-4-yl)pyrimidin-4-amine
CID 106811779
5-ethyl-6-(2-ethylmorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80786757

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-ethyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]-N-methylmethanamine (CID 114218758) is 1-[4-(2-ethyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-ethyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-ethyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]-N-methylmethanamine is CCC1CN(c2ncncc2CNC)CCCO1.
What is the InChIKey of 1-[4-(2-ethyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is UHXAFWUDYJPOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-12-9-17(5-4-6-18-12)13-11(7-14-2)8-15-10-16-13/h8,10,12,14H,3-7,9H2,1-2H3.
What are the key properties of 1-[4-(2-ethyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]-N-methylmethanamine?
1-[4-(2-ethyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 250.35 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114218758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).