6-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine

C8H14N4S — CID 112726070

IUPAC6-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
SMILESCSCCNc1cc(C)nc(N)n1
InChIInChI=1S/C8H14N4S/c1-6-5-7(10-3-4-13-2)12-8(9)11-6/h5H,3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeyLNVNAWANWMBPNG-UHFFFAOYSA-N
MW198.30 g/mol
LogP1.14
Rot. Bonds4

About 6-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine

6-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine (PubChem CID 112726070) has the molecular formula C8H14N4S and a molecular weight of 198.30 g/mol. Its IUPAC name is 6-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
PubChem CID112726070
Molecular FormulaC8H14N4S
Molecular Weight198.30 g/mol
Exact Mass198.09
IUPAC Name6-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
SMILESCSCCNc1cc(C)nc(N)n1
InChIInChI=1S/C8H14N4S/c1-6-5-7(10-3-4-13-2)12-8(9)11-6/h5H,3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeyLNVNAWANWMBPNG-UHFFFAOYSA-N
XLogP1.14
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N,6-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 80839141
4-N-decyl-6-methylpyrimidine-2,4-diamine
CID 80855252
5-[(2-amino-6-methylpyrimidin-4-yl)amino]pentanamide
CID 106241520
6-methyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 112732592
6-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-2,4-diamine
CID 102908872
6-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 78989212
3-[(2-amino-6-methylpyrimidin-4-yl)amino]-N,N-diethylpropanamide
CID 113224877
6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 67328297
6-methyl-4-N-(2-piperazin-1-ylethyl)pyrimidine-2,4-diamine
CID 10354114
6-methyl-4-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-diamine
CID 2726000
6-methyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine
CID 130532691
4-methyl-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine
CID 79176053

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine (CID 112726070) is 6-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine is CSCCNc1cc(C)nc(N)n1.
What is the InChIKey of 6-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine?
The InChIKey is LNVNAWANWMBPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-6-5-7(10-3-4-13-2)12-8(9)11-6/h5H,3-4H2,1-2H3,(H3,9,10,11,12).
What are the key properties of 6-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine?
6-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine has a molecular weight of 198.30 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112726070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).