5-bromo-2-(3-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine

C12H11Br2N3S — CID 115381230

IUPAC5-bromo-2-(3-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2sccc2Br)nc(C2CC2)c1Br
InChIInChI=1S/C12H11Br2N3S/c1-15-11-8(14)9(6-2-3-6)16-12(17-11)10-7(13)4-5-18-10/h4-6H,2-3H2,1H3,(H,15,16,17)
InChIKeyVBXQNAUCPPMWFO-UHFFFAOYSA-N
MW389.12 g/mol
LogP4.65
Rot. Bonds3

About 5-bromo-2-(3-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine

5-bromo-2-(3-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine (PubChem CID 115381230) has the molecular formula C12H11Br2N3S and a molecular weight of 389.12 g/mol. Its IUPAC name is 5-bromo-2-(3-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
PubChem CID115381230
Molecular FormulaC12H11Br2N3S
Molecular Weight389.12 g/mol
Exact Mass386.90
IUPAC Name5-bromo-2-(3-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2sccc2Br)nc(C2CC2)c1Br
InChIInChI=1S/C12H11Br2N3S/c1-15-11-8(14)9(6-2-3-6)16-12(17-11)10-7(13)4-5-18-10/h4-6H,2-3H2,1H3,(H,15,16,17)
InChIKeyVBXQNAUCPPMWFO-UHFFFAOYSA-N
XLogP4.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.12
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(3-bromothiophen-2-yl)-4-chloro-6-cyclopentylpyrimidine
CID 113390303
5-bromo-6-cyclopropyl-2-(4-fluorophenyl)-N-methylpyrimidin-4-amine
CID 66304168
5-bromo-6-cyclopropyl-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 66302950
5-bromo-6-cyclopropyl-N-methyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 66304583
5-bromo-2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 114331016
5-bromo-6-cyclopropyl-N-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 66296102
5-bromo-6-cyclopropyl-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 66301926
5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 107125379
2-(1,3-benzodioxol-5-yl)-5-bromo-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 66297835
5-[5-bromo-4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol
CID 66295717
5-bromo-2-(3-bromothiophen-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 115381195
2-(3-bromophenyl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
CID 66302370

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine (CID 115381230) is 5-bromo-2-(3-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine is CNc1nc(-c2sccc2Br)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-2-(3-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
The InChIKey is VBXQNAUCPPMWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3S/c1-15-11-8(14)9(6-2-3-6)16-12(17-11)10-7(13)4-5-18-10/h4-6H,2-3H2,1H3,(H,15,16,17).
What are the key properties of 5-bromo-2-(3-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
5-bromo-2-(3-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine has a molecular weight of 389.12 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 115381230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).