N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-6-methylsulfanylpyrimidin-4-amine

C14H18N4S — CID 106972381

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N-methyl-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(N(C)Cc2cccc(CN)c2)ncn1
InChIInChI=1S/C14H18N4S/c1-18(13-7-14(19-2)17-10-16-13)9-12-5-3-4-11(6-12)8-15/h3-7,10H,8-9,15H2,1-2H3
InChIKeyHMFKTJWDQSCEMY-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.29
Rot. Bonds5

About N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-6-methylsulfanylpyrimidin-4-amine

N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-6-methylsulfanylpyrimidin-4-amine (PubChem CID 106972381) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N-methyl-6-methylsulfanylpyrimidin-4-amine
PubChem CID106972381
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N-methyl-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(N(C)Cc2cccc(CN)c2)ncn1
InChIInChI=1S/C14H18N4S/c1-18(13-7-14(19-2)17-10-16-13)9-12-5-3-4-11(6-12)8-15/h3-7,10H,8-9,15H2,1-2H3
InChIKeyHMFKTJWDQSCEMY-UHFFFAOYSA-N
XLogP2.29
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-6-methylsulfanylpyrimidin-4-amine (CID 106972381) is N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-6-methylsulfanylpyrimidin-4-amine is CSc1cc(N(C)Cc2cccc(CN)c2)ncn1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is HMFKTJWDQSCEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-18(13-7-14(19-2)17-10-16-13)9-12-5-3-4-11(6-12)8-15/h3-7,10H,8-9,15H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-6-methylsulfanylpyrimidin-4-amine?
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 274.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 106972381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).