2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine

C12H10BrN5S — CID 106715705

IUPAC2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCn1cc(-c2cc(N)nc(-c3ccc(Br)s3)n2)cn1
InChIInChI=1S/C12H10BrN5S/c1-18-6-7(5-15-18)8-4-11(14)17-12(16-8)9-2-3-10(13)19-9/h2-6H,1H3,(H2,14,16,17)
InChIKeyGTSCCPCRIDIJQZ-UHFFFAOYSA-N
MW336.22 g/mol
LogP2.95
Rot. Bonds2

About 2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine

2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 106715705) has the molecular formula C12H10BrN5S and a molecular weight of 336.22 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID106715705
Molecular FormulaC12H10BrN5S
Molecular Weight336.22 g/mol
Exact Mass334.98
IUPAC Name2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCn1cc(-c2cc(N)nc(-c3ccc(Br)s3)n2)cn1
InChIInChI=1S/C12H10BrN5S/c1-18-6-7(5-15-18)8-4-11(14)17-12(16-8)9-2-3-10(13)19-9/h2-6H,1H3,(H2,14,16,17)
InChIKeyGTSCCPCRIDIJQZ-UHFFFAOYSA-N
XLogP2.95
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 106716040
[2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716157
2-(5-bromo-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715549
2-(furan-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715562
2-(6-methoxypyridazin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715684
2-(2-methylfuran-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715571
2-(5-ethylfuran-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106716043
4-[4-amino-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-chlorophenol
CID 136771954
6-(1-methylpyrazol-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80951955
[2-(5-ethylthiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716236
2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106716060
2-[(2-methylphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715725

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine (CID 106715705) is 2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine is Cn1cc(-c2cc(N)nc(-c3ccc(Br)s3)n2)cn1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is GTSCCPCRIDIJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN5S/c1-18-6-7(5-15-18)8-4-11(14)17-12(16-8)9-2-3-10(13)19-9/h2-6H,1H3,(H2,14,16,17).
What are the key properties of 2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 336.22 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 106715705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).