6-N-methyl-4-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-4,6-diamine

C13H16N4S — CID 115265512

IUPAC6-N-methyl-4-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCc2ccc(SC)cc2)ncn1
InChIInChI=1S/C13H16N4S/c1-14-12-7-13(17-9-16-12)15-8-10-3-5-11(18-2)6-4-10/h3-7,9H,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyRNNBBCFGCYAUAK-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.85
Rot. Bonds5

About 6-N-methyl-4-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-4,6-diamine

6-N-methyl-4-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 115265512) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 6-N-methyl-4-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-4,6-diamine
PubChem CID115265512
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name6-N-methyl-4-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCc2ccc(SC)cc2)ncn1
InChIInChI=1S/C13H16N4S/c1-14-12-7-13(17-9-16-12)15-8-10-3-5-11(18-2)6-4-10/h3-7,9H,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyRNNBBCFGCYAUAK-UHFFFAOYSA-N
XLogP2.85
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 80805369
6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791292
N-[(4-methylsulfanylphenyl)methyl]-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119062722
4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]phenol
CID 106973079
4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 106972638
6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80817082
6-N-[(4-fluorophenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265801
ethane;2-methyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidin-4-amine
CID 143029279
4-N-[(2,5-dimethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 115265489
6-N-methyl-2-methylsulfanyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine
CID 80793102
6-N-methyl-2-methylsulfanyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80773056
4-N-[(4-ethylphenyl)methyl]pyrimidine-4,6-diamine
CID 113231864

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-4,6-diamine (CID 115265512) is 6-N-methyl-4-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-4,6-diamine is CNc1cc(NCc2ccc(SC)cc2)ncn1.
What is the InChIKey of 6-N-methyl-4-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is RNNBBCFGCYAUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-14-12-7-13(17-9-16-12)15-8-10-3-5-11(18-2)6-4-10/h3-7,9H,8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 6-N-methyl-4-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-4,6-diamine?
6-N-methyl-4-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 260.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 115265512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).