2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine

C11H16N6O — CID 113401557

IUPAC2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccn(C)n2)nc(COC)n1
InChIInChI=1S/C11H16N6O/c1-12-9-6-10(15-11(14-9)7-18-3)13-8-4-5-17(2)16-8/h4-6H,7H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyXJNFMSGOGTZKOQ-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.14
Rot. Bonds5

About 2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine

2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine (PubChem CID 113401557) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine
PubChem CID113401557
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccn(C)n2)nc(COC)n1
InChIInChI=1S/C11H16N6O/c1-12-9-6-10(15-11(14-9)7-18-3)13-8-4-5-17(2)16-8/h4-6H,7H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyXJNFMSGOGTZKOQ-UHFFFAOYSA-N
XLogP1.14
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(2-chloro-5-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 107638868
6-methoxy-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 82456558
6-hydrazinyl-2-(methoxymethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine
CID 106106909
4-N-(3-bromo-2-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 107638612
4-N-(2-bromo-6-fluorophenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 107604540
2-methyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80849853
2-(methoxymethyl)-N-methyl-6-phenylpyrimidin-4-amine
CID 62190343
2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine
CID 62191609
4-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149886
4-N-[2-(dimethylamino)ethyl]-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 113401298
4-N-(2-bromo-5-chloro-4-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 104725543
2-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-N-methylpyrimidine-4,6-diamine
CID 80934372

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine (CID 113401557) is 2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine is CNc1cc(Nc2ccn(C)n2)nc(COC)n1.
What is the InChIKey of 2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine?
The InChIKey is XJNFMSGOGTZKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-12-9-6-10(15-11(14-9)7-18-3)13-8-4-5-17(2)16-8/h4-6H,7H2,1-3H3,(H2,12,13,14,15,16).
What are the key properties of 2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine?
2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine has a molecular weight of 248.29 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 113401557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).