N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine

C15H26N4O — CID 80984409

IUPACN-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C(C)C)nc(N2CCCOCC2)c1C
InChIInChI=1S/C15H26N4O/c1-5-16-14-12(4)15(18-13(17-14)11(2)3)19-7-6-9-20-10-8-19/h11H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyLUJPBZJYKBSTNF-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.57
Rot. Bonds4

About N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine

N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80984409) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80984409
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C(C)C)nc(N2CCCOCC2)c1C
InChIInChI=1S/C15H26N4O/c1-5-16-14-12(4)15(18-13(17-14)11(2)3)19-7-6-9-20-10-8-19/h11H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyLUJPBZJYKBSTNF-UHFFFAOYSA-N
XLogP2.57
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80981685
N-ethyl-5-methyl-6-(3-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80980822
N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-amine
CID 80823280
5-methyl-6-(3-methylmorpholin-4-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80986419
2,5-dimethyl-6-morpholin-4-yl-N-propylpyrimidin-4-amine
CID 80767316
6-(2,5-dimethylmorpholin-4-yl)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80986421
2-cyclopropyl-N-ethyl-5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80980816
5-methyl-6-(1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine
CID 80985559
2-cyclopropyl-N-ethyl-5-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80981359
6-(azocan-1-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80982039
6-N-ethyl-5-methyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980535
N-ethyl-6-(2-ethylimidazol-1-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80992986

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine (CID 80984409) is N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine is CCNc1nc(C(C)C)nc(N2CCCOCC2)c1C.
What is the InChIKey of N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is LUJPBZJYKBSTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-16-14-12(4)15(18-13(17-14)11(2)3)19-7-6-9-20-10-8-19/h11H,5-10H2,1-4H3,(H,16,17,18).
What are the key properties of N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine?
N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 278.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80984409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).