(6-methoxypyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine

C11H13N3OS — CID 102950671

IUPAC(6-methoxypyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine
SMILESCOc1cc(C(N)c2sccc2C)ncn1
InChIInChI=1S/C11H13N3OS/c1-7-3-4-16-11(7)10(12)8-5-9(15-2)14-6-13-8/h3-6,10H,12H2,1-2H3
InChIKeyKCHOCZPCRSEGLD-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.90
Rot. Bonds3

About (6-methoxypyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine

(6-methoxypyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine (PubChem CID 102950671) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is (6-methoxypyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(6-methoxypyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine
PubChem CID102950671
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name(6-methoxypyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine
SMILESCOc1cc(C(N)c2sccc2C)ncn1
InChIInChI=1S/C11H13N3OS/c1-7-3-4-16-11(7)10(12)8-5-9(15-2)14-6-13-8/h3-6,10H,12H2,1-2H3
InChIKeyKCHOCZPCRSEGLD-UHFFFAOYSA-N
XLogP1.90
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3-chlorothiophen-2-yl)-(6-methoxypyrimidin-4-yl)methyl]hydrazine
CID 107362215
(3,5-dimethoxypyrazin-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 105031196
(2-methoxy-5-methylphenyl)-(3-methylthiophen-2-yl)methanamine
CID 43626117
(3-methylthiophen-2-yl)-pyridin-2-ylmethanamine
CID 79989254
2-(3-bromothiophen-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950413
(2-methylpyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine
CID 115530132
(3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine
CID 102950866
(3-methylthiophen-2-yl)-pyrimidin-5-ylmethanamine
CID 115827446
(6-methoxypyrimidin-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 102950754
(4-bromothiophen-3-yl)-(6-methoxypyrimidin-4-yl)methanamine
CID 102950730
(3-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43384383
(3-chloro-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine
CID 43464562

Frequently Asked Questions

What is the IUPAC name of (6-methoxypyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of (6-methoxypyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine (CID 102950671) is (6-methoxypyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (6-methoxypyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for (6-methoxypyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine is COc1cc(C(N)c2sccc2C)ncn1.
What is the InChIKey of (6-methoxypyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine?
The InChIKey is KCHOCZPCRSEGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7-3-4-16-11(7)10(12)8-5-9(15-2)14-6-13-8/h3-6,10H,12H2,1-2H3.
What are the key properties of (6-methoxypyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine?
(6-methoxypyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine has a molecular weight of 235.31 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxypyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 102950671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).