N,5-diethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine

C14H24N4O — CID 80823670

IUPACN,5-diethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine
SMILESCCNc1ncnc(N2CCCOC(C)C2)c1CC
InChIInChI=1S/C14H24N4O/c1-4-12-13(15-5-2)16-10-17-14(12)18-7-6-8-19-11(3)9-18/h10-11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyQDVKBBQGFAEGTJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.09
Rot. Bonds4

About N,5-diethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine

N,5-diethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine (PubChem CID 80823670) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N,5-diethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,5-diethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine
PubChem CID80823670
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN,5-diethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine
SMILESCCNc1ncnc(N2CCCOC(C)C2)c1CC
InChIInChI=1S/C14H24N4O/c1-4-12-13(15-5-2)16-10-17-14(12)18-7-6-8-19-11(3)9-18/h10-11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyQDVKBBQGFAEGTJ-UHFFFAOYSA-N
XLogP2.09
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-diethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-4-amine
CID 80833870
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N,5-diethylpyrimidin-4-amine
CID 80837228
N-ethyl-5-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine
CID 80985308
N,5-diethyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine
CID 103504582
N,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80767407
5-ethyl-6-(2-ethylmorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80786757
N,5-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 80805279
N-ethyl-6-(2-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80764965
N-ethyl-4-(2-methyl-1,4-oxazepan-4-yl)quinazolin-2-amine
CID 80807269
N-ethyl-6-[3-(methoxymethyl)piperidin-1-yl]-5-propylpyrimidin-4-amine
CID 106590219
5-ethyl-N-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80763765
6-(4-butan-2-ylpiperazin-1-yl)-N,5-diethylpyrimidin-4-amine
CID 80803428

Frequently Asked Questions

What is the IUPAC name of N,5-diethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine?
The IUPAC name of N,5-diethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine (CID 80823670) is N,5-diethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N,5-diethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine?
The canonical SMILES for N,5-diethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine is CCNc1ncnc(N2CCCOC(C)C2)c1CC.
What is the InChIKey of N,5-diethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine?
The InChIKey is QDVKBBQGFAEGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-12-13(15-5-2)16-10-17-14(12)18-7-6-8-19-11(3)9-18/h10-11H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of N,5-diethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine?
N,5-diethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine has a molecular weight of 264.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 80823670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).