N-ethyl-6-(methoxymethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine

C16H26N4O — CID 115998400

IUPACN-ethyl-6-(methoxymethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
SMILESCCNc1cc(COC)nc(C2CC3CCC(C2)N3C)n1
InChIInChI=1S/C16H26N4O/c1-4-17-15-9-12(10-21-3)18-16(19-15)11-7-13-5-6-14(8-11)20(13)2/h9,11,13-14H,4-8,10H2,1-3H3,(H,17,18,19)
InChIKeyGJFBPTKFTDWAGR-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.39
Rot. Bonds5

About N-ethyl-6-(methoxymethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine

N-ethyl-6-(methoxymethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine (PubChem CID 115998400) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-ethyl-6-(methoxymethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(methoxymethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
PubChem CID115998400
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-ethyl-6-(methoxymethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
SMILESCCNc1cc(COC)nc(C2CC3CCC(C2)N3C)n1
InChIInChI=1S/C16H26N4O/c1-4-17-15-9-12(10-21-3)18-16(19-15)11-7-13-5-6-14(8-11)20(13)2/h9,11,13-14H,4-8,10H2,1-3H3,(H,17,18,19)
InChIKeyGJFBPTKFTDWAGR-UHFFFAOYSA-N
XLogP2.39
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62320790
2-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 115337230
2-cyclooctyl-N,6-diethylpyrimidin-4-amine
CID 80609911
N,6-diethyl-2-(3-methylcyclopentyl)pyrimidin-4-amine
CID 65415234
N-ethyl-6-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)pyrimidin-4-amine
CID 79662651
N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 115388534
N-ethyl-6-(methoxymethyl)-2-(2-methylpropyl)pyrimidin-4-amine
CID 62319502
2-(azepan-1-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62318582
2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine
CID 80609287
2-(cyclohexylsulfanylmethyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 65144656
2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 79412373
2-cyclopropyl-6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
CID 80959752

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(methoxymethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(methoxymethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine (CID 115998400) is N-ethyl-6-(methoxymethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(methoxymethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(methoxymethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine is CCNc1cc(COC)nc(C2CC3CCC(C2)N3C)n1.
What is the InChIKey of N-ethyl-6-(methoxymethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
The InChIKey is GJFBPTKFTDWAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-17-15-9-12(10-21-3)18-16(19-15)11-7-13-5-6-14(8-11)20(13)2/h9,11,13-14H,4-8,10H2,1-3H3,(H,17,18,19).
What are the key properties of N-ethyl-6-(methoxymethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
N-ethyl-6-(methoxymethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine has a molecular weight of 290.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(methoxymethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 115998400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).