6-methyl-2-(3-methylsulfinylpropylamino)pyrimidine-4-carbonitrile

C10H14N4OS — CID 107545250

IUPAC6-methyl-2-(3-methylsulfinylpropylamino)pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NCCCS(C)=O)n1
InChIInChI=1S/C10H14N4OS/c1-8-6-9(7-11)14-10(13-8)12-4-3-5-16(2)15/h6H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyVVACJHDTOGSVBI-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.84
Rot. Bonds5

About 6-methyl-2-(3-methylsulfinylpropylamino)pyrimidine-4-carbonitrile

6-methyl-2-(3-methylsulfinylpropylamino)pyrimidine-4-carbonitrile (PubChem CID 107545250) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 6-methyl-2-(3-methylsulfinylpropylamino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(3-methylsulfinylpropylamino)pyrimidine-4-carbonitrile
PubChem CID107545250
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name6-methyl-2-(3-methylsulfinylpropylamino)pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NCCCS(C)=O)n1
InChIInChI=1S/C10H14N4OS/c1-8-6-9(7-11)14-10(13-8)12-4-3-5-16(2)15/h6H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyVVACJHDTOGSVBI-UHFFFAOYSA-N
XLogP0.84
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-(2-methylsulfinylethylamino)pyrimidine-4-carbonitrile
CID 107545228
2-(hexylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544597
2-(3-methoxypropylamino)-6-methylpyrimidine-4-carbonitrile
CID 110383439
4,6-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine
CID 115631573
6-methyl-2-(3-propoxypropylamino)pyrimidine-4-carbonitrile
CID 107545023
2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383441
6-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonitrile
CID 107543599
6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidine-4-carbonitrile
CID 107551946
2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383463
6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile
CID 107543261
2-(3-hydroxypentylamino)-6-methylpyrimidine-4-carbonitrile
CID 107545273
2-(4-imidazol-1-ylbutylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544221

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methylsulfinylpropylamino)pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-(3-methylsulfinylpropylamino)pyrimidine-4-carbonitrile (CID 107545250) is 6-methyl-2-(3-methylsulfinylpropylamino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-(3-methylsulfinylpropylamino)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-(3-methylsulfinylpropylamino)pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(NCCCS(C)=O)n1.
What is the InChIKey of 6-methyl-2-(3-methylsulfinylpropylamino)pyrimidine-4-carbonitrile?
The InChIKey is VVACJHDTOGSVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-8-6-9(7-11)14-10(13-8)12-4-3-5-16(2)15/h6H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 6-methyl-2-(3-methylsulfinylpropylamino)pyrimidine-4-carbonitrile?
6-methyl-2-(3-methylsulfinylpropylamino)pyrimidine-4-carbonitrile has a molecular weight of 238.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methylsulfinylpropylamino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107545250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).