1-(3-chlorothiophen-2-yl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine

C11H12ClN3S — CID 107360106

IUPAC1-(3-chlorothiophen-2-yl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine
SMILESCNC(c1ncc(C)cn1)c1sccc1Cl
InChIInChI=1S/C11H12ClN3S/c1-7-5-14-11(15-6-7)9(13-2)10-8(12)3-4-16-10/h3-6,9,13H,1-2H3
InChIKeyCZSKUOLZPDYADQ-UHFFFAOYSA-N
MW253.76 g/mol
LogP2.81
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine

1-(3-chlorothiophen-2-yl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine (PubChem CID 107360106) 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-(5-methylpyrimidin-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine
PubChem CID107360106
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name1-(3-chlorothiophen-2-yl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine
SMILESCNC(c1ncc(C)cn1)c1sccc1Cl
InChIInChI=1S/C11H12ClN3S/c1-7-5-14-11(15-6-7)9(13-2)10-8(12)3-4-16-10/h3-6,9,13H,1-2H3
InChIKeyCZSKUOLZPDYADQ-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

N-[(3-chlorothiophen-2-yl)-(5-methylpyrimidin-2-yl)methyl]propan-1-amine
CID 107360108
1-(3-chlorothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine
CID 80528883
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 80644377
1-(3-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 107359992
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
CID 107360093
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 80528964
1-(3-chlorothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-N-methylmethanamine
CID 80529274
1-(3-chlorothiophen-2-yl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107978079
1-(3-chlorothiophen-2-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 107360135
1-(3-chlorothiophen-2-yl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine
CID 80645153
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 105040481
1-(3-chlorothiophen-2-yl)-1-(3-ethyl-4-pyridinyl)-N-methylmethanamine
CID 107360117

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine (CID 107360106) is 1-(3-chlorothiophen-2-yl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine is CNC(c1ncc(C)cn1)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine?
The InChIKey is CZSKUOLZPDYADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-7-5-14-11(15-6-7)9(13-2)10-8(12)3-4-16-10/h3-6,9,13H,1-2H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine?
1-(3-chlorothiophen-2-yl)-N-methyl-1-(5-methylpyrimidin-2-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-(5-methylpyrimidin-2-yl)methanamine is sourced from PubChem (CID 107360106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).