4-N-(4-methoxybutan-2-yl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

C11H20N4OS — CID 80844529

IUPAC4-N-(4-methoxybutan-2-yl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(NC(C)CCOC)nc(SC)n1
InChIInChI=1S/C11H20N4OS/c1-8(5-6-16-3)13-10-7-9(12-2)14-11(15-10)17-4/h7-8H,5-6H2,1-4H3,(H2,12,13,14,15)
InChIKeyUCPXAAMNPVBWNA-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.08
Rot. Bonds7

About 4-N-(4-methoxybutan-2-yl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

4-N-(4-methoxybutan-2-yl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80844529) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-N-(4-methoxybutan-2-yl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-methoxybutan-2-yl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80844529
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name4-N-(4-methoxybutan-2-yl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(NC(C)CCOC)nc(SC)n1
InChIInChI=1S/C11H20N4OS/c1-8(5-6-16-3)13-10-7-9(12-2)14-11(15-10)17-4/h7-8H,5-6H2,1-4H3,(H2,12,13,14,15)
InChIKeyUCPXAAMNPVBWNA-UHFFFAOYSA-N
XLogP2.08
TPSA59.07 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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(4-methoxybutan-2-yl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine with MolForge

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Related Compounds

3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol
CID 83180615
6-N-methyl-4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80800383
4-methoxy-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol
CID 114152250
6-chloro-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
CID 112724489
N-(4-methoxybutan-2-yl)-6-methylsulfanylpyrimidin-4-amine
CID 106972875
6-N-methyl-2-methylsulfanyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80809780
4-N-(6-methylheptan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80801282
2-cyclopropyl-4-N-[(2S)-1-methoxypropan-2-yl]-6-N-methylpyrimidine-4,6-diamine
CID 129380989
4-N-(2-methoxyethyl)-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80795314
2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol
CID 80780450
6-hydrazinyl-N-(4-methoxybutan-2-yl)-2-propylpyrimidin-4-amine
CID 80946800
6-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 103408460

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxybutan-2-yl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-methoxybutan-2-yl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (CID 80844529) is 4-N-(4-methoxybutan-2-yl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-methoxybutan-2-yl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-methoxybutan-2-yl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is CNc1cc(NC(C)CCOC)nc(SC)n1.
What is the InChIKey of 4-N-(4-methoxybutan-2-yl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is UCPXAAMNPVBWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-8(5-6-16-3)13-10-7-9(12-2)14-11(15-10)17-4/h7-8H,5-6H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 4-N-(4-methoxybutan-2-yl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-(4-methoxybutan-2-yl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 256.37 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxybutan-2-yl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80844529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).