(4-bromothiophen-3-yl)-(6-methoxypyrimidin-4-yl)methanamine

C10H10BrN3OS — CID 102950730

IUPAC(4-bromothiophen-3-yl)-(6-methoxypyrimidin-4-yl)methanamine
SMILESCOc1cc(C(N)c2cscc2Br)ncn1
InChIInChI=1S/C10H10BrN3OS/c1-15-9-2-8(13-5-14-9)10(12)6-3-16-4-7(6)11/h2-5,10H,12H2,1H3
InChIKeyRCPYNBBLQFKWHU-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.36
Rot. Bonds3

About (4-bromothiophen-3-yl)-(6-methoxypyrimidin-4-yl)methanamine

(4-bromothiophen-3-yl)-(6-methoxypyrimidin-4-yl)methanamine (PubChem CID 102950730) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(6-methoxypyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(6-methoxypyrimidin-4-yl)methanamine
PubChem CID102950730
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC Name(4-bromothiophen-3-yl)-(6-methoxypyrimidin-4-yl)methanamine
SMILESCOc1cc(C(N)c2cscc2Br)ncn1
InChIInChI=1S/C10H10BrN3OS/c1-15-9-2-8(13-5-14-9)10(12)6-3-16-4-7(6)11/h2-5,10H,12H2,1H3
InChIKeyRCPYNBBLQFKWHU-UHFFFAOYSA-N
XLogP2.36
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-bromo-2,4-dimethoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine
CID 103523603
(4-bromothiophen-3-yl)-(4-methoxyphenyl)methanamine
CID 79595197
(6-methoxypyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine
CID 102950671
(6-methoxypyrimidin-4-yl)-(2-propoxyphenyl)methanamine
CID 102950546
2-(2-bromophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950704
[(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]hydrazine
CID 103375712
(4-bromothiophen-3-yl)-(4-methylphenyl)methanamine
CID 79594983
(6-methoxypyrimidin-4-yl)-(1-methylimidazol-2-yl)methanamine
CID 102950782
(3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine
CID 102950866
(6-methoxypyrimidin-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 102950754
2-(3-bromothiophen-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950413
(1-ethylimidazol-2-yl)-(6-methoxypyrimidin-4-yl)methanamine
CID 102950568

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(6-methoxypyrimidin-4-yl)methanamine?
The IUPAC name of (4-bromothiophen-3-yl)-(6-methoxypyrimidin-4-yl)methanamine (CID 102950730) is (4-bromothiophen-3-yl)-(6-methoxypyrimidin-4-yl)methanamine.
What is the SMILES notation for (4-bromothiophen-3-yl)-(6-methoxypyrimidin-4-yl)methanamine?
The canonical SMILES for (4-bromothiophen-3-yl)-(6-methoxypyrimidin-4-yl)methanamine is COc1cc(C(N)c2cscc2Br)ncn1.
What is the InChIKey of (4-bromothiophen-3-yl)-(6-methoxypyrimidin-4-yl)methanamine?
The InChIKey is RCPYNBBLQFKWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c1-15-9-2-8(13-5-14-9)10(12)6-3-16-4-7(6)11/h2-5,10H,12H2,1H3.
What are the key properties of (4-bromothiophen-3-yl)-(6-methoxypyrimidin-4-yl)methanamine?
(4-bromothiophen-3-yl)-(6-methoxypyrimidin-4-yl)methanamine has a molecular weight of 300.18 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(6-methoxypyrimidin-4-yl)methanamine is sourced from PubChem (CID 102950730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).