4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine

C9H16N4S — CID 80839408

IUPAC4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
SMILESCSCC(C)CNc1cc(N)ncn1
InChIInChI=1S/C9H16N4S/c1-7(5-14-2)4-11-9-3-8(10)12-6-13-9/h3,6-7H,4-5H2,1-2H3,(H3,10,11,12,13)
InChIKeyTUTQDSCQPGUMTK-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.47
Rot. Bonds5

About 4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine

4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine (PubChem CID 80839408) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
PubChem CID80839408
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
SMILESCSCC(C)CNc1cc(N)ncn1
InChIInChI=1S/C9H16N4S/c1-7(5-14-2)4-11-9-3-8(10)12-6-13-9/h3,6-7H,4-5H2,1-2H3,(H3,10,11,12,13)
InChIKeyTUTQDSCQPGUMTK-UHFFFAOYSA-N
XLogP1.47
TPSA63.83 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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80839670
1-[(6-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107159476
1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine
CID 106973229
5-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2,5-diamine
CID 63982053
N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972533
5-[(6-aminopyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162981
6-hydrazinyl-5-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80913030
2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid
CID 63960049
2-ethyl-6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80937623
4-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 80770931
2-N-(2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-2,5-diamine
CID 102768509
5-chloro-2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid
CID 114919676

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine (CID 80839408) is 4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine is CSCC(C)CNc1cc(N)ncn1.
What is the InChIKey of 4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine?
The InChIKey is TUTQDSCQPGUMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-7(5-14-2)4-11-9-3-8(10)12-6-13-9/h3,6-7H,4-5H2,1-2H3,(H3,10,11,12,13).
What are the key properties of 4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine?
4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine has a molecular weight of 212.32 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80839408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).