4-N-butan-2-yl-4-N-(2-methoxyethyl)-2-methylsulfanylpyrimidine-4,6-diamine

C12H22N4OS — CID 80820334

IUPAC4-N-butan-2-yl-4-N-(2-methoxyethyl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCC(C)N(CCOC)c1cc(N)nc(SC)n1
InChIInChI=1S/C12H22N4OS/c1-5-9(2)16(6-7-17-3)11-8-10(13)14-12(15-11)18-4/h8-9H,5-7H2,1-4H3,(H2,13,14,15)
InChIKeyDOZYMUTYNWIYGJ-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.03
Rot. Bonds7

About 4-N-butan-2-yl-4-N-(2-methoxyethyl)-2-methylsulfanylpyrimidine-4,6-diamine

4-N-butan-2-yl-4-N-(2-methoxyethyl)-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80820334) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-N-butan-2-yl-4-N-(2-methoxyethyl)-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-4-N-(2-methoxyethyl)-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80820334
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name4-N-butan-2-yl-4-N-(2-methoxyethyl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCC(C)N(CCOC)c1cc(N)nc(SC)n1
InChIInChI=1S/C12H22N4OS/c1-5-9(2)16(6-7-17-3)11-8-10(13)14-12(15-11)18-4/h8-9H,5-7H2,1-4H3,(H2,13,14,15)
InChIKeyDOZYMUTYNWIYGJ-UHFFFAOYSA-N
XLogP2.03
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-hydrazinyl-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
CID 80901446
4-N-butan-2-yl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80776688
4-N-butan-2-yl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80810126
4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyrimidine-2,4,6-triamine
CID 80821328
6-N-ethyl-4-N-(2-methoxyethyl)-2-methylsulfanyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80787308
2-cyclopropyl-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine
CID 80961398
6-N-butan-2-yl-3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine
CID 114074357
2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013495
2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methylpyridine-2,5-diamine
CID 79176590
1-N-butan-2-yl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 55001534
4-N-butan-2-yl-2-ethyl-4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,6-diamine
CID 80935470
4-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80775599

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-4-N-(2-methoxyethyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butan-2-yl-4-N-(2-methoxyethyl)-2-methylsulfanylpyrimidine-4,6-diamine (CID 80820334) is 4-N-butan-2-yl-4-N-(2-methoxyethyl)-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butan-2-yl-4-N-(2-methoxyethyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butan-2-yl-4-N-(2-methoxyethyl)-2-methylsulfanylpyrimidine-4,6-diamine is CCC(C)N(CCOC)c1cc(N)nc(SC)n1.
What is the InChIKey of 4-N-butan-2-yl-4-N-(2-methoxyethyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is DOZYMUTYNWIYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-5-9(2)16(6-7-17-3)11-8-10(13)14-12(15-11)18-4/h8-9H,5-7H2,1-4H3,(H2,13,14,15).
What are the key properties of 4-N-butan-2-yl-4-N-(2-methoxyethyl)-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-butan-2-yl-4-N-(2-methoxyethyl)-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 270.40 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-4-N-(2-methoxyethyl)-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80820334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).