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

C12H20N4O — CID 80823280

IUPACN-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-amine
SMILESCCNc1ncnc(N2CCCOCC2)c1C
InChIInChI=1S/C12H20N4O/c1-3-13-11-10(2)12(15-9-14-11)16-5-4-7-17-8-6-16/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyPJFIDAHPAZDWLT-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.44
Rot. Bonds3

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

N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-amine (PubChem CID 80823280) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-amine
PubChem CID80823280
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-amine
SMILESCCNc1ncnc(N2CCCOCC2)c1C
InChIInChI=1S/C12H20N4O/c1-3-13-11-10(2)12(15-9-14-11)16-5-4-7-17-8-6-16/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyPJFIDAHPAZDWLT-UHFFFAOYSA-N
XLogP1.44
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(8-azaspiro[4.5]decan-8-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80831776
N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80984409
N-ethyl-6-(2-ethylmorpholin-4-yl)-5-methylpyrimidin-4-amine
CID 80788166
N-ethyl-5-methyl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80793772
6-(3,3-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80835406
6-(3,3-diethylpyrrolidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80855240
6-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80828149
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80854935
N-ethyl-5-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80767326
4-[6-(ethylamino)-5-methylpyrimidin-4-yl]piperazin-2-one
CID 80763940
1-[6-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol
CID 102971284
N-ethyl-4-[6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-3-carboxamide
CID 83105968

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-amine (CID 80823280) is N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-amine is CCNc1ncnc(N2CCCOCC2)c1C.
What is the InChIKey of N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-amine?
The InChIKey is PJFIDAHPAZDWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-13-11-10(2)12(15-9-14-11)16-5-4-7-17-8-6-16/h9H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-amine?
N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-amine has a molecular weight of 236.32 g/mol, XLogP of 1.44, 3 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)pyrimidin-4-amine is sourced from PubChem (CID 80823280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).