1-[5-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-methylmethanamine

C14H16ClN3S — CID 114864516

IUPAC1-[5-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1Sc1nc(C)cc(C)n1
InChIInChI=1S/C14H16ClN3S/c1-9-6-10(2)18-14(17-9)19-13-5-4-12(15)7-11(13)8-16-3/h4-7,16H,8H2,1-3H3
InChIKeyKTYMKFHHZVCALA-UHFFFAOYSA-N
MW293.82 g/mol
LogP3.62
Rot. Bonds4

About 1-[5-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-methylmethanamine

1-[5-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-methylmethanamine (PubChem CID 114864516) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is 1-[5-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-methylmethanamine
PubChem CID114864516
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC Name1-[5-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1Sc1nc(C)cc(C)n1
InChIInChI=1S/C14H16ClN3S/c1-9-6-10(2)18-14(17-9)19-13-5-4-12(15)7-11(13)8-16-3/h4-7,16H,8H2,1-3H3
InChIKeyKTYMKFHHZVCALA-UHFFFAOYSA-N
XLogP3.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-chloro-2-(2-methylphenyl)sulfanylphenyl]-N-methylmethanamine
CID 114864440
1-[4-bromo-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-methylmethanamine
CID 63809493
2-[4-chloro-2-[(propan-2-ylamino)methyl]phenyl]sulfanylpyrimidine-4,6-diamine
CID 114864751
1-(5-chloro-2-propan-2-ylsulfanylphenyl)-N-methylmethanamine
CID 82553451
1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylphenyl]-N-methylmethanamine
CID 63807375
1-[5-chloro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]-N-methylmethanamine
CID 106926417
1-[5-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]phenyl]-N-methylmethanamine
CID 114864925
1-(2-tert-butylsulfanyl-5-chlorophenyl)-N-methylmethanamine
CID 114863850
[5-chloro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol
CID 114865556
1-[5-chloro-2-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine
CID 114864215
N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine
CID 63807198
1-(6-chloro-2-methylquinolin-4-yl)-N-methylmethanamine
CID 82449106

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-methylmethanamine (CID 114864516) is 1-[5-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-methylmethanamine is CNCc1cc(Cl)ccc1Sc1nc(C)cc(C)n1.
What is the InChIKey of 1-[5-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-methylmethanamine?
The InChIKey is KTYMKFHHZVCALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S/c1-9-6-10(2)18-14(17-9)19-13-5-4-12(15)7-11(13)8-16-3/h4-7,16H,8H2,1-3H3.
What are the key properties of 1-[5-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-methylmethanamine?
1-[5-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-methylmethanamine has a molecular weight of 293.82 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-methylmethanamine is sourced from PubChem (CID 114864516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).