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

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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).