1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine

C11H12ClN3S — CID 107360093

IUPAC1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
SMILESCNC(c1ccnc(C)n1)c1sccc1Cl
InChIInChI=1S/C11H12ClN3S/c1-7-14-5-3-9(15-7)10(13-2)11-8(12)4-6-16-11/h3-6,10,13H,1-2H3
InChIKeyMFAJJLKEQUWZLR-UHFFFAOYSA-N
MW253.76 g/mol
LogP2.81
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine

1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine (PubChem CID 107360093) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
PubChem CID107360093
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
SMILESCNC(c1ccnc(C)n1)c1sccc1Cl
InChIInChI=1S/C11H12ClN3S/c1-7-14-5-3-9(15-7)10(13-2)11-8(12)4-6-16-11/h3-6,10,13H,1-2H3
InChIKeyMFAJJLKEQUWZLR-UHFFFAOYSA-N
XLogP2.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 107359992
[(2-methylpyrimidin-4-yl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105260530
1-(3-chlorothiophen-2-yl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine
CID 107360106
1-(3-chlorothiophen-2-yl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107978079
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 80644377
(2-methylpyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine
CID 115530132
1-(3-chlorothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine
CID 80528883
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 80528964
(3-bromothiophen-2-yl)-(2-methylpyrimidin-4-yl)methanamine
CID 115530329
N-[(2-methylpyrimidin-4-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102833612
[(3,4-dichlorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine
CID 105260527
N-methyl-1-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)methanamine
CID 115530544

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine (CID 107360093) is 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine is CNC(c1ccnc(C)n1)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine?
The InChIKey is MFAJJLKEQUWZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-7-14-5-3-9(15-7)10(13-2)11-8(12)4-6-16-11/h3-6,10,13H,1-2H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine?
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine has a molecular weight of 253.76 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 107360093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).