5-bromo-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine

C12H14BrN3OS — CID 103745877

IUPAC5-bromo-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine
SMILESCOc1nc(NC(C)c2ccc(C)s2)ncc1Br
InChIInChI=1S/C12H14BrN3OS/c1-7-4-5-10(18-7)8(2)15-12-14-6-9(13)11(16-12)17-3/h4-6,8H,1-3H3,(H,14,15,16)
InChIKeyVSXNBCUICXIOQE-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.79
Rot. Bonds4

About 5-bromo-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine

5-bromo-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine (PubChem CID 103745877) has the molecular formula C12H14BrN3OS and a molecular weight of 328.24 g/mol. Its IUPAC name is 5-bromo-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine
PubChem CID103745877
Molecular FormulaC12H14BrN3OS
Molecular Weight328.24 g/mol
Exact Mass327.00
IUPAC Name5-bromo-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine
SMILESCOc1nc(NC(C)c2ccc(C)s2)ncc1Br
InChIInChI=1S/C12H14BrN3OS/c1-7-4-5-10(18-7)8(2)15-12-14-6-9(13)11(16-12)17-3/h4-6,8H,1-3H3,(H,14,15,16)
InChIKeyVSXNBCUICXIOQE-UHFFFAOYSA-N
XLogP3.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-N-methyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80800414
5-bromo-4-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80800412
4-methoxy-6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine
CID 112691799
4-[1-[(5-bromo-4-methoxypyrimidin-2-yl)amino]ethyl]benzonitrile
CID 103745818
5-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine
CID 106997926
(2R)-2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]propanoic acid
CID 122049940
4-N-ethyl-6-methoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80800600
5-bromo-4-methoxy-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine
CID 102809527
5-bromo-4-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine
CID 106997660
5-fluoro-2-N-methyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80801316
5-bromo-N-iodo-4-methoxypyrimidin-2-amine
CID 147407713
2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-propan-2-ylpropanamide
CID 106997888

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine (CID 103745877) is 5-bromo-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine is COc1nc(NC(C)c2ccc(C)s2)ncc1Br.
What is the InChIKey of 5-bromo-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine?
The InChIKey is VSXNBCUICXIOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3OS/c1-7-4-5-10(18-7)8(2)15-12-14-6-9(13)11(16-12)17-3/h4-6,8H,1-3H3,(H,14,15,16).
What are the key properties of 5-bromo-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine?
5-bromo-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine has a molecular weight of 328.24 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 103745877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).