2-(methoxymethyl)-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,6-diamine

C11H20N4OS — CID 113495337

IUPAC2-(methoxymethyl)-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,6-diamine
SMILESCCC(CSC)Nc1cc(N)nc(COC)n1
InChIInChI=1S/C11H20N4OS/c1-4-8(7-17-3)13-10-5-9(12)14-11(15-10)6-16-2/h5,8H,4,6-7H2,1-3H3,(H3,12,13,14,15)
InChIKeyLGPJNHOODDXPJT-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.76
Rot. Bonds7

About 2-(methoxymethyl)-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,6-diamine

2-(methoxymethyl)-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,6-diamine (PubChem CID 113495337) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,6-diamine
PubChem CID113495337
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name2-(methoxymethyl)-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,6-diamine
SMILESCCC(CSC)Nc1cc(N)nc(COC)n1
InChIInChI=1S/C11H20N4OS/c1-4-8(7-17-3)13-10-5-9(12)14-11(15-10)6-16-2/h5,8H,4,6-7H2,1-3H3,(H3,12,13,14,15)
InChIKeyLGPJNHOODDXPJT-UHFFFAOYSA-N
XLogP1.76
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methoxymethyl)-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
CID 113401520
6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719346
2-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol
CID 106198708
6-chloro-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine
CID 115899327
4-N-pentan-3-ylpyrimidine-2,4,6-triamine
CID 80769685
2-(methoxymethyl)-6-(2-methylbutylsulfanyl)pyrimidin-4-amine
CID 107765753
2-(methoxymethyl)-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 106390312
2-chloro-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 87084099
2-ethyl-4-N-octan-4-ylpyrimidine-4,6-diamine
CID 106028697
4-N-octan-4-yl-2-propylpyrimidine-4,6-diamine
CID 106028699
6-ethoxy-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,5-diamine
CID 113494426
2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-4-carbothioamide
CID 114767990

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-(methoxymethyl)-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,6-diamine (CID 113495337) is 2-(methoxymethyl)-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(methoxymethyl)-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-(methoxymethyl)-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,6-diamine is CCC(CSC)Nc1cc(N)nc(COC)n1.
What is the InChIKey of 2-(methoxymethyl)-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is LGPJNHOODDXPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-4-8(7-17-3)13-10-5-9(12)14-11(15-10)6-16-2/h5,8H,4,6-7H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 2-(methoxymethyl)-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,6-diamine?
2-(methoxymethyl)-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 256.37 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 113495337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).