6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine

C14H19N5OS — CID 80899995

IUPAC6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCOc1ccccc1CN(C)c1cc(NN)nc(SC)n1
InChIInChI=1S/C14H19N5OS/c1-19(9-10-6-4-5-7-11(10)20-2)13-8-12(18-15)16-14(17-13)21-3/h4-8H,9,15H2,1-3H3,(H,16,17,18)
InChIKeySURKSGBPMPEXDR-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.13
Rot. Bonds6

About 6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine

6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80899995) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID80899995
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCOc1ccccc1CN(C)c1cc(NN)nc(SC)n1
InChIInChI=1S/C14H19N5OS/c1-19(9-10-6-4-5-7-11(10)20-2)13-8-12(18-15)16-14(17-13)21-3/h4-8H,9,15H2,1-3H3,(H,16,17,18)
InChIKeySURKSGBPMPEXDR-UHFFFAOYSA-N
XLogP2.13
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80907218
6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80906376
4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80794329
N-[(2-fluorophenyl)methyl]-6-hydrazinyl-N,2-dimethylpyrimidin-4-amine
CID 80899402
4-N-[(2-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 78929848
1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80922994
[6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80916805
4-N-[(2-chlorophenyl)methyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80898733
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 105421075
5-fluoro-2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 80896455
(6-methoxy-2-methylsulfanylpyrimidin-4-yl)hydrazine
CID 80909923
N-[1-(2-chlorophenyl)ethyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80904873

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine (CID 80899995) is 6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine is COc1ccccc1CN(C)c1cc(NN)nc(SC)n1.
What is the InChIKey of 6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is SURKSGBPMPEXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-19(9-10-6-4-5-7-11(10)20-2)13-8-12(18-15)16-14(17-13)21-3/h4-8H,9,15H2,1-3H3,(H,16,17,18).
What are the key properties of 6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine?
6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 305.41 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80899995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).