4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine

C12H16N4OS — CID 80781793

IUPAC4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(N(C)Cc2ccc(C)o2)n1
InChIInChI=1S/C12H16N4OS/c1-8-4-5-9(17-8)7-16(2)11-6-10(13)14-12(15-11)18-3/h4-6H,7H2,1-3H3,(H2,13,14,15)
InChIKeyVNWVSBMKAGWXOU-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.32
Rot. Bonds4

About 4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine

4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80781793) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80781793
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(N(C)Cc2ccc(C)o2)n1
InChIInChI=1S/C12H16N4OS/c1-8-4-5-9(17-8)7-16(2)11-6-10(13)14-12(15-11)18-3/h4-6H,7H2,1-3H3,(H2,13,14,15)
InChIKeyVNWVSBMKAGWXOU-UHFFFAOYSA-N
XLogP2.32
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N,6-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80781028
6-N-methyl-6-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717523
4-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80775599
4-N-[(4-chlorophenyl)methyl]-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80794822
4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80805934
6-hydrazinyl-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine
CID 80907155
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 80778671
2-N,4-N,4-N-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80782080
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 60666714
4-N-methyl-4-N-(4-methylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80817452
4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
CID 65343166
2-N,6-N-dimethyl-6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine
CID 80781469

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine (CID 80781793) is 4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine is CSc1nc(N)cc(N(C)Cc2ccc(C)o2)n1.
What is the InChIKey of 4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is VNWVSBMKAGWXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8-4-5-9(17-8)7-16(2)11-6-10(13)14-12(15-11)18-3/h4-6H,7H2,1-3H3,(H2,13,14,15).
What are the key properties of 4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 264.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80781793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).