5-[(benzylamino)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine

C14H18N4S — CID 171500496

IUPAC5-[(benzylamino)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1nc(SC)ncc1CNCc1ccccc1
InChIInChI=1S/C14H18N4S/c1-15-13-12(10-17-14(18-13)19-2)9-16-8-11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3,(H,15,17,18)
InChIKeyNDOKWSCFDOYHCE-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.53
Rot. Bonds6

About 5-[(benzylamino)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine

5-[(benzylamino)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 171500496) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 5-[(benzylamino)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name5-[(benzylamino)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID171500496
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name5-[(benzylamino)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1nc(SC)ncc1CNCc1ccccc1
InChIInChI=1S/C14H18N4S/c1-15-13-12(10-17-14(18-13)19-2)9-16-8-11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3,(H,15,17,18)
InChIKeyNDOKWSCFDOYHCE-UHFFFAOYSA-N
XLogP2.53
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(benzylamino)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 5-[(benzylamino)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine (CID 171500496) is 5-[(benzylamino)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 5-[(benzylamino)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 5-[(benzylamino)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine is CNc1nc(SC)ncc1CNCc1ccccc1.
What is the InChIKey of 5-[(benzylamino)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is NDOKWSCFDOYHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-15-13-12(10-17-14(18-13)19-2)9-16-8-11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3,(H,15,17,18).
What are the key properties of 5-[(benzylamino)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine?
5-[(benzylamino)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 274.39 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(benzylamino)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 171500496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).