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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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).