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

C9H16N4S — CID 80839141

IUPAC2-N,6-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NCCSC)n1
InChIInChI=1S/C9H16N4S/c1-7-6-8(11-4-5-14-3)13-9(10-2)12-7/h6H,4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyVPUOKTMNXRPVPF-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.60
Rot. Bonds5

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

2-N,6-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine (PubChem CID 80839141) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-N,6-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
PubChem CID80839141
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name2-N,6-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NCCSC)n1
InChIInChI=1S/C9H16N4S/c1-7-6-8(11-4-5-14-3)13-9(10-2)12-7/h6H,4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyVPUOKTMNXRPVPF-UHFFFAOYSA-N
XLogP1.60
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.60
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

6-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 112726070
2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine
CID 80786153
6-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 107855289
N-[3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
CID 106332206
4-N-(2,2-dimethylbutyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 103466603
6-methyl-2-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-2,4-diamine
CID 106433956
3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-N-propan-2-ylpropanamide
CID 113411160
2-N,6-dimethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 83147401
6-N-methyl-4-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960012
2,2-difluoro-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 106179435
4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine
CID 112637746
2-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine
CID 80839882

Frequently Asked Questions

What is the IUPAC name of 2-N,6-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,6-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine (CID 80839141) is 2-N,6-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,6-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,6-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine is CNc1nc(C)cc(NCCSC)n1.
What is the InChIKey of 2-N,6-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine?
The InChIKey is VPUOKTMNXRPVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-7-6-8(11-4-5-14-3)13-9(10-2)12-7/h6H,4-5H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 2-N,6-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine?
2-N,6-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine has a molecular weight of 212.32 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80839141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).