2-(methoxymethyl)-4-N,6-N-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine

C13H24N4O — CID 113401382

IUPAC2-(methoxymethyl)-4-N,6-N-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
SMILESCNc1cc(N(C)C(C)C(C)C)nc(COC)n1
InChIInChI=1S/C13H24N4O/c1-9(2)10(3)17(5)13-7-11(14-4)15-12(16-13)8-18-6/h7,9-10H,8H2,1-6H3,(H,14,15,16)
InChIKeyRSOKHDXHVQJQNK-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.15
Rot. Bonds6

About 2-(methoxymethyl)-4-N,6-N-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine

2-(methoxymethyl)-4-N,6-N-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine (PubChem CID 113401382) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-N,6-N-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-N,6-N-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
PubChem CID113401382
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-(methoxymethyl)-4-N,6-N-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
SMILESCNc1cc(N(C)C(C)C(C)C)nc(COC)n1
InChIInChI=1S/C13H24N4O/c1-9(2)10(3)17(5)13-7-11(14-4)15-12(16-13)8-18-6/h7,9-10H,8H2,1-6H3,(H,14,15,16)
InChIKeyRSOKHDXHVQJQNK-UHFFFAOYSA-N
XLogP2.15
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(methoxymethyl)-4-N,6-N-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

2-(methoxymethyl)-6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 113401338
4-N-butan-2-yl-2-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80934109
6-N,2-diethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80933374
6-methoxy-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 82456558
4-N-[2-(dimethylamino)ethyl]-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 113401298
2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine
CID 62191609
6-(2-methoxyethoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 82456721
3-methoxy-2-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 114157112
2-ethyl-4-N-(2-methoxyethyl)-6-N-methyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80935014
4-N-butan-2-yl-2-ethyl-4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,6-diamine
CID 80935470
2-(methoxymethyl)-N-methyl-6-phenylpyrimidin-4-amine
CID 62190343
6-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967785

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-N,6-N-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-(methoxymethyl)-4-N,6-N-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine (CID 113401382) is 2-(methoxymethyl)-4-N,6-N-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(methoxymethyl)-4-N,6-N-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-(methoxymethyl)-4-N,6-N-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine is CNc1cc(N(C)C(C)C(C)C)nc(COC)n1.
What is the InChIKey of 2-(methoxymethyl)-4-N,6-N-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is RSOKHDXHVQJQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9(2)10(3)17(5)13-7-11(14-4)15-12(16-13)8-18-6/h7,9-10H,8H2,1-6H3,(H,14,15,16).
What are the key properties of 2-(methoxymethyl)-4-N,6-N-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine?
2-(methoxymethyl)-4-N,6-N-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-N,6-N-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 113401382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).